2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide

C15H29N3O — CID 64823304

IUPAC2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)NCCCN1CCCCC1
InChIInChI=1S/C15H29N3O/c16-14-8-3-2-7-13(14)15(19)17-9-6-12-18-10-4-1-5-11-18/h13-14H,1-12,16H2,(H,17,19)
InChIKeyMSNWCXORVIPNED-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.50
Rot. Bonds5

About 2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide

2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide (PubChem CID 64823304) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
PubChem CID64823304
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)NCCCN1CCCCC1
InChIInChI=1S/C15H29N3O/c16-14-8-3-2-7-13(14)15(19)17-9-6-12-18-10-4-1-5-11-18/h13-14H,1-12,16H2,(H,17,19)
InChIKeyMSNWCXORVIPNED-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43579840
3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549965
2-amino-N-hex-5-ynylcyclohexane-1-carboxamide
CID 106212965
2-amino-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide
CID 106391099
2-amino-N-[3-(2-hydroxyethoxy)propyl]cycloheptane-1-carboxamide
CID 106310524
2-amino-N-(4-hydroxybutyl)cyclopentane-1-carboxamide
CID 106842187
4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 55139778
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62993831
2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 62775948
2-amino-N-(2-fluoroethyl)cyclohexane-1-carboxamide
CID 130504072
3-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 62781994
(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 95903528

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide (CID 64823304) is 2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide is NC1CCCCC1C(=O)NCCCN1CCCCC1.
What is the InChIKey of 2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide?
The InChIKey is MSNWCXORVIPNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c16-14-8-3-2-7-13(14)15(19)17-9-6-12-18-10-4-1-5-11-18/h13-14H,1-12,16H2,(H,17,19).
What are the key properties of 2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide?
2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64823304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).