N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide

C16H30N4O2 — CID 71932035

IUPACN-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C16H30N4O2/c1-13(21)17-9-10-18-16(22)19-14-6-5-11-20(12-14)15-7-3-2-4-8-15/h14-15H,2-12H2,1H3,(H,17,21)(H2,18,19,22)
InChIKeyPCNLGKWUJVVAHG-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.22
Rot. Bonds5

About N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide

N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide (PubChem CID 71932035) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide
PubChem CID71932035
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC NameN-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C16H30N4O2/c1-13(21)17-9-10-18-16(22)19-14-6-5-11-20(12-14)15-7-3-2-4-8-15/h14-15H,2-12H2,1H3,(H,17,21)(H2,18,19,22)
InChIKeyPCNLGKWUJVVAHG-UHFFFAOYSA-N
XLogP1.22
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
CID 42383897
ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate
CID 25384080
1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111506189
1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111111817
1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea
CID 111438964
N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
CID 42567206
N-(1-cycloheptylpiperidin-3-yl)cyclopentanecarboxamide
CID 45199037
N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide
CID 45243625
1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95309401
1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95309399
N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
N-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide
CID 86904322

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide (CID 71932035) is N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)NC1CCCN(C2CCCCC2)C1.
What is the InChIKey of N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide?
The InChIKey is PCNLGKWUJVVAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-13(21)17-9-10-18-16(22)19-14-6-5-11-20(12-14)15-7-3-2-4-8-15/h14-15H,2-12H2,1H3,(H,17,21)(H2,18,19,22).
What are the key properties of N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide?
N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide has a molecular weight of 310.44 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 71932035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).