cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide

C20H22N2O3 — CID 97011479

IUPACcis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cccc(N2CCCCC2=O)c1)[C@H]1C[C@H]1c1ccco1
InChIInChI=1S/C20H22N2O3/c23-19-8-1-2-9-22(19)15-6-3-5-14(11-15)13-21-20(24)17-12-16(17)18-7-4-10-25-18/h3-7,10-11,16-17H,1-2,8-9,12-13H2,(H,21,24)/t16-,17+/m1/s1
InChIKeyHABDMQBCNHOOMS-SJORKVTESA-N
MW338.41 g/mol
LogP3.22
Rot. Bonds5

About cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 97011479) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID97011479
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namecis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cccc(N2CCCCC2=O)c1)[C@H]1C[C@H]1c1ccco1
InChIInChI=1S/C20H22N2O3/c23-19-8-1-2-9-22(19)15-6-3-5-14(11-15)13-21-20(24)17-12-16(17)18-7-4-10-25-18/h3-7,10-11,16-17H,1-2,8-9,12-13H2,(H,21,24)/t16-,17+/m1/s1
InChIKeyHABDMQBCNHOOMS-SJORKVTESA-N
XLogP3.22
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 75526323
cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 97204314
3-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119724391
1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 94166154
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86852864
(3R)-1-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 95904457
N-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47450071
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
(3S)-1-ethylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 95196197
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide (CID 97011479) is cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide is O=C(NCc1cccc(N2CCCCC2=O)c1)[C@H]1C[C@H]1c1ccco1.
What is the InChIKey of cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is HABDMQBCNHOOMS-SJORKVTESA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19-8-1-2-9-22(19)15-6-3-5-14(11-15)13-21-20(24)17-12-16(17)18-7-4-10-25-18/h3-7,10-11,16-17H,1-2,8-9,12-13H2,(H,21,24)/t16-,17+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97011479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).