1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide

C15H29N3O2 — CID 119851085

IUPAC1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCCCN2CCC(O)CC2)CCCCC1
InChIInChI=1S/C15H29N3O2/c16-15(7-2-1-3-8-15)14(20)17-9-4-10-18-11-5-13(19)6-12-18/h13,19H,1-12,16H2,(H,17,20)
InChIKeyJNHFCDSOTLRIJT-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.61
Rot. Bonds5

About 1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide

1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide (PubChem CID 119851085) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide
PubChem CID119851085
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCCCN2CCC(O)CC2)CCCCC1
InChIInChI=1S/C15H29N3O2/c16-15(7-2-1-3-8-15)14(20)17-9-4-10-18-11-5-13(19)6-12-18/h13,19H,1-12,16H2,(H,17,20)
InChIKeyJNHFCDSOTLRIJT-UHFFFAOYSA-N
XLogP0.61
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
CID 119831267
1-amino-N-(3-piperidin-1-ylpropyl)cyclopentane-1-carboxamide
CID 60867938
1-amino-N-(3-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 81179848
1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119831195
1-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 61241468
1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852388
1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide
CID 81171639
1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852759
1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
CID 119858866
1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270408
1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119895679
1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide
CID 125437379

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide (CID 119851085) is 1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide is NC1(C(=O)NCCCN2CCC(O)CC2)CCCCC1.
What is the InChIKey of 1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide?
The InChIKey is JNHFCDSOTLRIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c16-15(7-2-1-3-8-15)14(20)17-9-4-10-18-11-5-13(19)6-12-18/h13,19H,1-12,16H2,(H,17,20).
What are the key properties of 1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide?
1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119851085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).