N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide

C22H35N3O2 — CID 134047108

IUPACN,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)N(C)C1CCN(C(C)C)CC1
InChIInChI=1S/C22H35N3O2/c1-16(2)21(23-20(26)15-18-9-7-6-8-10-18)22(27)24(5)19-11-13-25(14-12-19)17(3)4/h6-10,16-17,19,21H,11-15H2,1-5H3,(H,23,26)
InChIKeyGWNVMCMGBDTOQA-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.70
Rot. Bonds7

About N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide

N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide (PubChem CID 134047108) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide.

Molecular Properties

Compound NameN,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide
PubChem CID134047108
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)N(C)C1CCN(C(C)C)CC1
InChIInChI=1S/C22H35N3O2/c1-16(2)21(23-20(26)15-18-9-7-6-8-10-18)22(27)24(5)19-11-13-25(14-12-19)17(3)4/h6-10,16-17,19,21H,11-15H2,1-5H3,(H,23,26)
InChIKeyGWNVMCMGBDTOQA-UHFFFAOYSA-N
XLogP2.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide with MolForge

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Related Compounds

(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842325
3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 119842319
1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119166665
(2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 94733041
N-methyl-3,3-diphenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 134046931
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide;hydrochloride
CID 119373353
N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9036546
N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 42909311
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 119409765
N-[1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 51327509
benzyl N-[4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-4-oxobutyl]carbamate
CID 51121113
2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide
CID 119552532

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The IUPAC name of N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide (CID 134047108) is N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide.
What is the SMILES notation for N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The canonical SMILES for N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide is CC(C)C(NC(=O)Cc1ccccc1)C(=O)N(C)C1CCN(C(C)C)CC1.
What is the InChIKey of N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The InChIKey is GWNVMCMGBDTOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-16(2)21(23-20(26)15-18-9-7-6-8-10-18)22(27)24(5)19-11-13-25(14-12-19)17(3)4/h6-10,16-17,19,21H,11-15H2,1-5H3,(H,23,26).
What are the key properties of N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide has a molecular weight of 373.54 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide is sourced from PubChem (CID 134047108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).