4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide

C16H28N4O3 — CID 60616890

IUPAC4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide
SMILESO=C1CCC(NC(=O)CCCNC(=O)NC2CCCCC2)CN1
InChIInChI=1S/C16H28N4O3/c21-14-9-8-13(11-18-14)19-15(22)7-4-10-17-16(23)20-12-5-2-1-3-6-12/h12-13H,1-11H2,(H,18,21)(H,19,22)(H2,17,20,23)
InChIKeyLEWXKRHDNJIOTM-UHFFFAOYSA-N
MW324.43 g/mol
LogP0.79
Rot. Bonds6

About 4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide

4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide (PubChem CID 60616890) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide
PubChem CID60616890
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide
SMILESO=C1CCC(NC(=O)CCCNC(=O)NC2CCCCC2)CN1
InChIInChI=1S/C16H28N4O3/c21-14-9-8-13(11-18-14)19-15(22)7-4-10-17-16(23)20-12-5-2-1-3-6-12/h12-13H,1-11H2,(H,18,21)(H,19,22)(H2,17,20,23)
InChIKeyLEWXKRHDNJIOTM-UHFFFAOYSA-N
XLogP0.79
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.79
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-piperidin-3-ylbutanamide
CID 119425673
N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide
CID 62898102
N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide
CID 112728892
2,2-dimethyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]propanamide
CID 62897735
2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 104686679
3-chloro-N-(6-oxopiperidin-3-yl)propanamide
CID 63662078
6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106191828
4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534786
1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434341
4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide
CID 62896622
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
CID 16614836

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide (CID 60616890) is 4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide is O=C1CCC(NC(=O)CCCNC(=O)NC2CCCCC2)CN1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide?
The InChIKey is LEWXKRHDNJIOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c21-14-9-8-13(11-18-14)19-15(22)7-4-10-17-16(23)20-12-5-2-1-3-6-12/h12-13H,1-11H2,(H,18,21)(H,19,22)(H2,17,20,23).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide?
4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide has a molecular weight of 324.43 g/mol, XLogP of 0.79, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide is sourced from PubChem (CID 60616890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).