1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea

C20H29N3O4 — CID 125447458

IUPAC1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea
SMILESCOc1cccc(CN(C(=O)N[C@@H]2CCCNC2=O)C2CCCC2)c1OC
InChIInChI=1S/C20H29N3O4/c1-26-17-11-5-7-14(18(17)27-2)13-23(15-8-3-4-9-15)20(25)22-16-10-6-12-21-19(16)24/h5,7,11,15-16H,3-4,6,8-10,12-13H2,1-2H3,(H,21,24)(H,22,25)/t16-/m1/s1
InChIKeySHSPMDXGUFNVDS-MRXNPFEDSA-N
MW375.47 g/mol
LogP2.44
Rot. Bonds6

About 1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea

1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea (PubChem CID 125447458) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea
PubChem CID125447458
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea
SMILESCOc1cccc(CN(C(=O)N[C@@H]2CCCNC2=O)C2CCCC2)c1OC
InChIInChI=1S/C20H29N3O4/c1-26-17-11-5-7-14(18(17)27-2)13-23(15-8-3-4-9-15)20(25)22-16-10-6-12-21-19(16)24/h5,7,11,15-16H,3-4,6,8-10,12-13H2,1-2H3,(H,21,24)(H,22,25)/t16-/m1/s1
InChIKeySHSPMDXGUFNVDS-MRXNPFEDSA-N
XLogP2.44
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94030528
1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 71935595
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94182837
3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one
CID 104791742
2-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]acetamide
CID 94219466
(8aR,11aS)-1-[(2,3-dimethoxyphenyl)methyl]-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201577
2-[(2-methoxyphenyl)methyl]-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 110090697
2-[(2-methoxyphenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
CID 125023469
1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea
CID 122564176
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514
2-(3,4-dimethoxy-N-methylanilino)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 94819772

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea?
The IUPAC name of 1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea (CID 125447458) is 1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea.
What is the SMILES notation for 1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea?
The canonical SMILES for 1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea is COc1cccc(CN(C(=O)N[C@@H]2CCCNC2=O)C2CCCC2)c1OC.
What is the InChIKey of 1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea?
The InChIKey is SHSPMDXGUFNVDS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-26-17-11-5-7-14(18(17)27-2)13-23(15-8-3-4-9-15)20(25)22-16-10-6-12-21-19(16)24/h5,7,11,15-16H,3-4,6,8-10,12-13H2,1-2H3,(H,21,24)(H,22,25)/t16-/m1/s1.
What are the key properties of 1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea?
1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea has a molecular weight of 375.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea is sourced from PubChem (CID 125447458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).