cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide

C21H26N2O2 — CID 96998764

IUPACcis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCN1CCC(N(Cc2ccco2)C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-22-11-9-17(10-12-22)23(15-18-8-5-13-25-18)21(24)20-14-19(20)16-6-3-2-4-7-16/h2-8,13,17,19-20H,9-12,14-15H2,1H3/t19-,20-/m1/s1
InChIKeyULHVKLFCEVLOFM-WOJBJXKFSA-N
MW338.45 g/mol
LogP3.51
Rot. Bonds5

About cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 96998764) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID96998764
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Namecis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCN1CCC(N(Cc2ccco2)C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-22-11-9-17(10-12-22)23(15-18-8-5-13-25-18)21(24)20-14-19(20)16-6-3-2-4-7-16/h2-8,13,17,19-20H,9-12,14-15H2,1H3/t19-,20-/m1/s1
InChIKeyULHVKLFCEVLOFM-WOJBJXKFSA-N
XLogP3.51
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide
CID 3873675
2-(furan-2-yl)-1-(2-phenylcyclopropyl)ethanone
CID 115795569
1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 112819886
N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 136578968
trans-(1R,2R)-N-cyclopropyl-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 56743077
N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid
CID 17053047
5-cyclopropyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841100
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylcyclopropane-1-carboxamide
CID 4145732
N-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide
CID 102872552
N-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide
CID 102684551
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide (CID 96998764) is cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide is CN1CCC(N(Cc2ccco2)C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is ULHVKLFCEVLOFM-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-22-11-9-17(10-12-22)23(15-18-8-5-13-25-18)21(24)20-14-19(20)16-6-3-2-4-7-16/h2-8,13,17,19-20H,9-12,14-15H2,1H3/t19-,20-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 96998764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).