4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide

C16H30N4O2 — CID 119425673

IUPAC4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NC1CCCNC1
InChIInChI=1S/C16H30N4O2/c21-15(19-14-8-4-10-17-12-14)9-5-11-18-16(22)20-13-6-2-1-3-7-13/h13-14,17H,1-12H2,(H,19,21)(H2,18,20,22)
InChIKeyNGFJEQHMNPMKIP-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.27
Rot. Bonds6

About 4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide

4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide (PubChem CID 119425673) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide
PubChem CID119425673
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NC1CCCNC1
InChIInChI=1S/C16H30N4O2/c21-15(19-14-8-4-10-17-12-14)9-5-11-18-16(22)20-13-6-2-1-3-7-13/h13-14,17H,1-12H2,(H,19,21)(H2,18,20,22)
InChIKeyNGFJEQHMNPMKIP-UHFFFAOYSA-N
XLogP1.27
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534786
2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide
CID 119426962
4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide
CID 60616890
1-heptyl-3-piperidin-3-ylurea
CID 142180143
1-cyclohexyl-3-[4-(1,4-diazepan-1-yl)-4-oxobutyl]urea
CID 119415459
N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride
CID 119428545
1-cyclopropyl-3-piperidin-3-ylurea
CID 62699673
1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685110
1-[4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-4-oxobutyl]-3-cyclohexylurea;hydrochloride
CID 120656749
N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
2-cyclohexyl-N-[(3S)-piperidin-3-yl]acetamide
CID 92664479
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide (CID 119425673) is 4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide is O=C(CCCNC(=O)NC1CCCCC1)NC1CCCNC1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide?
The InChIKey is NGFJEQHMNPMKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c21-15(19-14-8-4-10-17-12-14)9-5-11-18-16(22)20-13-6-2-1-3-7-13/h13-14,17H,1-12H2,(H,19,21)(H2,18,20,22).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide?
4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide has a molecular weight of 310.44 g/mol, XLogP of 1.27, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide is sourced from PubChem (CID 119425673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).