cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide

C18H24N2O — CID 97457906

IUPACcis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESC=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C18H24N2O/c1-2-10-20-11-8-15(9-12-20)19-18(21)17-13-16(17)14-6-4-3-5-7-14/h2-7,15-17H,1,8-13H2,(H,19,21)/t16-,17-/m1/s1
InChIKeyLJXQYLGPDVMGNL-IAGOWNOFSA-N
MW284.40 g/mol
LogP2.56
Rot. Bonds5

About cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide

cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide (PubChem CID 97457906) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide
PubChem CID97457906
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Namecis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESC=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C18H24N2O/c1-2-10-20-11-8-15(9-12-20)19-18(21)17-13-16(17)14-6-4-3-5-7-14/h2-7,15-17H,1,8-13H2,(H,19,21)/t16-,17-/m1/s1
InChIKeyLJXQYLGPDVMGNL-IAGOWNOFSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.56
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

4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538554
2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide
CID 119879084
3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 51081790
trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 136582734
2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride
CID 119947092
cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 95774790
cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 124860014
3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 119953733
(3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 100816182
N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 102551990
6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid
CID 167783469
3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 119879126

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide (CID 97457906) is cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide is C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide?
The InChIKey is LJXQYLGPDVMGNL-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-10-20-11-8-15(9-12-20)19-18(21)17-13-16(17)14-6-4-3-5-7-14/h2-7,15-17H,1,8-13H2,(H,19,21)/t16-,17-/m1/s1.
What are the key properties of cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97457906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).