1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide

C24H31ClN2O2 — CID 45225489

IUPAC1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESO=C(CC1=CCCCC1)N1CCCC(CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C24H31ClN2O2/c25-21-10-8-20(9-11-21)24(12-13-24)23(29)26-16-19-7-4-14-27(17-19)22(28)15-18-5-2-1-3-6-18/h5,8-11,19H,1-4,6-7,12-17H2,(H,26,29)
InChIKeyAWPJOLIRCXPIOB-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.62
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 45225489) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
PubChem CID45225489
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC Name1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESO=C(CC1=CCCCC1)N1CCCC(CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C24H31ClN2O2/c25-21-10-8-20(9-11-21)24(12-13-24)23(29)26-16-19-7-4-14-27(17-19)22(28)15-18-5-2-1-3-6-18/h5,8-11,19H,1-4,6-7,12-17H2,(H,26,29)
InChIKeyAWPJOLIRCXPIOB-UHFFFAOYSA-N
XLogP4.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-(4-chlorophenyl)-N-[[(3S)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 42379771
1-(4-chlorophenyl)-N-[[(3R)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97280066
2-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methylamino]acetic acid
CID 106813470
3-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 72920634
(3S)-3-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 97283033
1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine
CID 63562908
N-[[(3R)-1-(2-adamantyl)piperidin-3-yl]methyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 26392564
1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 72884299
N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 45236759
1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 42401799
1-(4-chlorophenyl)-N-[[(3R)-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97274571
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]propanamide
CID 25477368

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide (CID 45225489) is 1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide is O=C(CC1=CCCCC1)N1CCCC(CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is AWPJOLIRCXPIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O2/c25-21-10-8-20(9-11-21)24(12-13-24)23(29)26-16-19-7-4-14-27(17-19)22(28)15-18-5-2-1-3-6-18/h5,8-11,19H,1-4,6-7,12-17H2,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 414.98 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 45225489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).