N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C17H32N4O2 — CID 119656331

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C17H32N4O2/c1-17(2,12-18)13-19(3)15(22)14-7-6-10-21(11-14)16(23)20-8-4-5-9-20/h14H,4-13,18H2,1-3H3
InChIKeyMGJVOPGWDNCZJH-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.36
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 119656331) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID119656331
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C17H32N4O2/c1-17(2,12-18)13-19(3)15(22)14-7-6-10-21(11-14)16(23)20-8-4-5-9-20/h14H,4-13,18H2,1-3H3
InChIKeyMGJVOPGWDNCZJH-UHFFFAOYSA-N
XLogP1.36
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(3-amino-2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide
CID 119653194
3-N-(3-amino-2,2-dimethylpropyl)-3-N-methyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 119654700
2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119228849
N-(3-amino-2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide
CID 79652128
N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119652684
N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119661450
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 79652406
1-tert-butyl-N,N-dimethylpiperidine-3-carboxamide
CID 58877729
N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 120649649
1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 43586350
3-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228476
3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60778381

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 119656331) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is CN(CC(C)(C)CN)C(=O)C1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is MGJVOPGWDNCZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-17(2,12-18)13-19(3)15(22)14-7-6-10-21(11-14)16(23)20-8-4-5-9-20/h14H,4-13,18H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 119656331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).