N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide

C16H27N3O — CID 113103397

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)N1CCN(C2CC2)CC1
InChIInChI=1S/C16H27N3O/c20-16(17-9-8-14-4-2-1-3-5-14)19-12-10-18(11-13-19)15-6-7-15/h4,15H,1-3,5-13H2,(H,17,20)
InChIKeyWYMZHXOUBFYDBT-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.37
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide (PubChem CID 113103397) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide
PubChem CID113103397
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)N1CCN(C2CC2)CC1
InChIInChI=1S/C16H27N3O/c20-16(17-9-8-14-4-2-1-3-5-14)19-12-10-18(11-13-19)15-6-7-15/h4,15H,1-3,5-13H2,(H,17,20)
InChIKeyWYMZHXOUBFYDBT-UHFFFAOYSA-N
XLogP2.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122010196
2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 107856024
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010199
N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110894046
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113104871
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104787
N-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113104896
3-[1-[2-(cyclopenten-1-yl)ethylcarbamoyl]pyrrolidin-3-yl]propanoic acid
CID 106178480
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42395265
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 119073948
4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103421
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113104852

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide (CID 113103397) is N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide is O=C(NCCC1=CCCCC1)N1CCN(C2CC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide?
The InChIKey is WYMZHXOUBFYDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c20-16(17-9-8-14-4-2-1-3-5-14)19-12-10-18(11-13-19)15-6-7-15/h4,15H,1-3,5-13H2,(H,17,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide is sourced from PubChem (CID 113103397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).