N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride

C17H31ClN4O2 — CID 119478354

IUPACN-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)C2CCCN(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C17H30N4O2.ClH/c18-14-5-7-15(8-6-14)19-16(22)13-4-3-11-21(12-13)17(23)20-9-1-2-10-20;/h13-15H,1-12,18H2,(H,19,22);1H
InChIKeyROMUFYZCZSWTBW-UHFFFAOYSA-N
MW358.91 g/mol
LogP1.72
Rot. Bonds2

About N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119478354) has the molecular formula C17H31ClN4O2 and a molecular weight of 358.91 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119478354
Molecular FormulaC17H31ClN4O2
Molecular Weight358.91 g/mol
Exact Mass358.21
IUPAC NameN-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)C2CCCN(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C17H30N4O2.ClH/c18-14-5-7-15(8-6-14)19-16(22)13-4-3-11-21(12-13)17(23)20-9-1-2-10-20;/h13-15H,1-12,18H2,(H,19,22);1H
InChIKeyROMUFYZCZSWTBW-UHFFFAOYSA-N
XLogP1.72
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 119479204
N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119475324
N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride
CID 119478130
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
(4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119376301
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
N-(2-methylpiperidin-4-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 120599279
N-(4-aminocyclohexyl)azepane-1-carboxamide
CID 79152451
1-(2-cyclopentylacetyl)-N-cyclopropylpiperidine-3-carboxamide
CID 71935025
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756437

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride (CID 119478354) is N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride is Cl.NC1CCC(NC(=O)C2CCCN(C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is ROMUFYZCZSWTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2.ClH/c18-14-5-7-15(8-6-14)19-16(22)13-4-3-11-21(12-13)17(23)20-9-1-2-10-20;/h13-15H,1-12,18H2,(H,19,22);1H.
What are the key properties of N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119478354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).