N,3,3-trimethyl-2-[1-(1-methylpiperidin-2-yl)ethenylamino]-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide

C24H46N4O — CID 142813610

IUPACN,3,3-trimethyl-2-[1-(1-methylpiperidin-2-yl)ethenylamino]-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide
SMILESC=C(NC(C(=O)N(C)C(CN1CCCC1)C(C)C)C(C)(C)C)C1CCCCN1C
InChIInChI=1S/C24H46N4O/c1-18(2)21(17-28-15-11-12-16-28)27(8)23(29)22(24(4,5)6)25-19(3)20-13-9-10-14-26(20)7/h18,20-22,25H,3,9-17H2,1-2,4-8H3
InChIKeyKTRKHZLRJFKCDQ-UHFFFAOYSA-N
MW406.66 g/mol
LogP3.57
Rot. Bonds8

About N,3,3-trimethyl-2-[1-(1-methylpiperidin-2-yl)ethenylamino]-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide

N,3,3-trimethyl-2-[1-(1-methylpiperidin-2-yl)ethenylamino]-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide (PubChem CID 142813610) has the molecular formula C24H46N4O and a molecular weight of 406.66 g/mol. Its IUPAC name is N,3,3-trimethyl-2-[1-(1-methylpiperidin-2-yl)ethenylamino]-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide.

Molecular Properties

Compound NameN,3,3-trimethyl-2-[1-(1-methylpiperidin-2-yl)ethenylamino]-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide
PubChem CID142813610
Molecular FormulaC24H46N4O
Molecular Weight406.66 g/mol
Exact Mass406.37
IUPAC NameN,3,3-trimethyl-2-[1-(1-methylpiperidin-2-yl)ethenylamino]-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide
SMILESC=C(NC(C(=O)N(C)C(CN1CCCC1)C(C)C)C(C)(C)C)C1CCCCN1C
InChIInChI=1S/C24H46N4O/c1-18(2)21(17-28-15-11-12-16-28)27(8)23(29)22(24(4,5)6)25-19(3)20-13-9-10-14-26(20)7/h18,20-22,25H,3,9-17H2,1-2,4-8H3
InChIKeyKTRKHZLRJFKCDQ-UHFFFAOYSA-N
XLogP3.57
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.66
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2S)-2-[[(2S)-3,3-dimethyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]butanoyl]-methylamino]-3-methylbutyl]pyrrolidine-2-carboxylic acid
CID 59234261
N-[(2S)-1-[[(2S)-1-[(2S)-2-(methoxycarbamoyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 58650174
2-formamido-N,3,3-trimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide
CID 89282907
1-[(2S)-1-[(2S)-2-[[(2S)-3,3-dimethyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]butanoyl]-methylamino]-3-methylbutyl]pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid
CID 59721808
N-[(2S)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-methylbutan-2-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 58649946
N-[1-[[(2S)-1-[(2S)-2-(2-carbamoylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 71099024
(2R)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-methylbutan-2-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 58822430
2-[[2-[[(2S)-2-[[(2S)-3,3-dimethyl-2-[(1-methylpiperidine-2-carbonyl)amino]butanoyl]-methylamino]-3-methylbutyl]-methylamino]acetyl]-methylamino]acetic acid
CID 58650467
cyclohexyl (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-3,3-dimethyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]butanoyl]-methylamino]-3-methylbutyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 59234274
ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoate
CID 59234271
(2S)-1-[2-[[(2S)-2-[[3,3-dimethyl-2-[(1-methylpiperidine-2-carbonyl)amino]butanoyl]-methylamino]-3-methylbutyl]-methylamino]acetyl]pyrrolidine-2-carboxylic acid
CID 142813640
N-[(2S)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-methylbutan-2-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 58650492

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-2-[1-(1-methylpiperidin-2-yl)ethenylamino]-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide?
The IUPAC name of N,3,3-trimethyl-2-[1-(1-methylpiperidin-2-yl)ethenylamino]-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide (CID 142813610) is N,3,3-trimethyl-2-[1-(1-methylpiperidin-2-yl)ethenylamino]-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide.
What is the SMILES notation for N,3,3-trimethyl-2-[1-(1-methylpiperidin-2-yl)ethenylamino]-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide?
The canonical SMILES for N,3,3-trimethyl-2-[1-(1-methylpiperidin-2-yl)ethenylamino]-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide is C=C(NC(C(=O)N(C)C(CN1CCCC1)C(C)C)C(C)(C)C)C1CCCCN1C.
What is the InChIKey of N,3,3-trimethyl-2-[1-(1-methylpiperidin-2-yl)ethenylamino]-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide?
The InChIKey is KTRKHZLRJFKCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4O/c1-18(2)21(17-28-15-11-12-16-28)27(8)23(29)22(24(4,5)6)25-19(3)20-13-9-10-14-26(20)7/h18,20-22,25H,3,9-17H2,1-2,4-8H3.
What are the key properties of N,3,3-trimethyl-2-[1-(1-methylpiperidin-2-yl)ethenylamino]-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide?
N,3,3-trimethyl-2-[1-(1-methylpiperidin-2-yl)ethenylamino]-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide has a molecular weight of 406.66 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-2-[1-(1-methylpiperidin-2-yl)ethenylamino]-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)butanamide is sourced from PubChem (CID 142813610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).