N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide

C20H27ClN2O — CID 170580686

IUPACN-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide
SMILESO=C(N[C@H](c1cccc(Cl)c1)C1CCCC1)C1CC2(CCCN2)C1
InChIInChI=1S/C20H27ClN2O/c21-17-8-3-7-15(11-17)18(14-5-1-2-6-14)23-19(24)16-12-20(13-16)9-4-10-22-20/h3,7-8,11,14,16,18,22H,1-2,4-6,9-10,12-13H2,(H,23,24)/t16?,18-,20?/m0/s1
InChIKeyXMMURAYWVMEDSM-IPCDKGFNSA-N
MW346.90 g/mol
LogP4.22
Rot. Bonds4

About N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide

N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide (PubChem CID 170580686) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide
PubChem CID170580686
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC NameN-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide
SMILESO=C(N[C@H](c1cccc(Cl)c1)C1CCCC1)C1CC2(CCCN2)C1
InChIInChI=1S/C20H27ClN2O/c21-17-8-3-7-15(11-17)18(14-5-1-2-6-14)23-19(24)16-12-20(13-16)9-4-10-22-20/h3,7-8,11,14,16,18,22H,1-2,4-6,9-10,12-13H2,(H,23,24)/t16?,18-,20?/m0/s1
InChIKeyXMMURAYWVMEDSM-IPCDKGFNSA-N
XLogP4.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide
CID 170330258
3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
CID 170580293
(5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide
CID 170580436
N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
CID 170579534
3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide
CID 170578738
N-[(3-chlorophenyl)-cyclopentylmethyl]-7-[(5-cyano-2-pyridinyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide
CID 170579911
(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
CID 120795524
1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea
CID 170581158
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 170580700
N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide
CID 170580551
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
N-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide
CID 170580794

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide (CID 170580686) is N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide is O=C(N[C@H](c1cccc(Cl)c1)C1CCCC1)C1CC2(CCCN2)C1.
What is the InChIKey of N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide?
The InChIKey is XMMURAYWVMEDSM-IPCDKGFNSA-N. The full InChI is InChI=1S/C20H27ClN2O/c21-17-8-3-7-15(11-17)18(14-5-1-2-6-14)23-19(24)16-12-20(13-16)9-4-10-22-20/h3,7-8,11,14,16,18,22H,1-2,4-6,9-10,12-13H2,(H,23,24)/t16?,18-,20?/m0/s1.
What are the key properties of N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide?
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 346.90 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 170580686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).