N-piperidin-4-yl-N-propylazepane-1-carboxamide

C15H29N3O — CID 79152738

IUPACN-piperidin-4-yl-N-propylazepane-1-carboxamide
SMILESCCCN(C(=O)N1CCCCCC1)C1CCNCC1
InChIInChI=1S/C15H29N3O/c1-2-11-18(14-7-9-16-10-8-14)15(19)17-12-5-3-4-6-13-17/h14,16H,2-13H2,1H3
InChIKeyCBMLAYXOXVCYPQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.45
Rot. Bonds3

About N-piperidin-4-yl-N-propylazepane-1-carboxamide

N-piperidin-4-yl-N-propylazepane-1-carboxamide (PubChem CID 79152738) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propylazepane-1-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propylazepane-1-carboxamide
PubChem CID79152738
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-piperidin-4-yl-N-propylazepane-1-carboxamide
SMILESCCCN(C(=O)N1CCCCCC1)C1CCNCC1
InChIInChI=1S/C15H29N3O/c1-2-11-18(14-7-9-16-10-8-14)15(19)17-12-5-3-4-6-13-17/h14,16H,2-13H2,1H3
InChIKeyCBMLAYXOXVCYPQ-UHFFFAOYSA-N
XLogP2.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azetidin-3-yl)-N-propylpyrrolidine-1-carboxamide
CID 79161145
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylpiperidine-1-carboxamide
CID 79155022
(2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61407896
N-butyl-N-cyclopropylpyrrolidine-1-carboxamide
CID 115579406
1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 43270721
1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 61408507
N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119531751
N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119532621
1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide
CID 119823569
N-(2-aminoethyl)-N-cyclobutylpiperidine-1-carboxamide
CID 102874273
4-[piperidin-4-yl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782800
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propylazepane-1-carboxamide?
The IUPAC name of N-piperidin-4-yl-N-propylazepane-1-carboxamide (CID 79152738) is N-piperidin-4-yl-N-propylazepane-1-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-N-propylazepane-1-carboxamide?
The canonical SMILES for N-piperidin-4-yl-N-propylazepane-1-carboxamide is CCCN(C(=O)N1CCCCCC1)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-propylazepane-1-carboxamide?
The InChIKey is CBMLAYXOXVCYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-11-18(14-7-9-16-10-8-14)15(19)17-12-5-3-4-6-13-17/h14,16H,2-13H2,1H3.
What are the key properties of N-piperidin-4-yl-N-propylazepane-1-carboxamide?
N-piperidin-4-yl-N-propylazepane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propylazepane-1-carboxamide is sourced from PubChem (CID 79152738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).