1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea

C20H31N3O2 — CID 97226935

IUPAC1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESO=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NC1(CO)CCCC1
InChIInChI=1S/C20H31N3O2/c24-16-20(10-4-5-11-20)22-19(25)21-13-18-9-6-12-23(15-18)14-17-7-2-1-3-8-17/h1-3,7-8,18,24H,4-6,9-16H2,(H2,21,22,25)/t18-/m1/s1
InChIKeyKMSZOKWMQNOQEX-GOSISDBHSA-N
MW345.49 g/mol
LogP2.50
Rot. Bonds6

About 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea

1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea (PubChem CID 97226935) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
PubChem CID97226935
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESO=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NC1(CO)CCCC1
InChIInChI=1S/C20H31N3O2/c24-16-20(10-4-5-11-20)22-19(25)21-13-18-9-6-12-23(15-18)14-17-7-2-1-3-8-17/h1-3,7-8,18,24H,4-6,9-16H2,(H2,21,22,25)/t18-/m1/s1
InChIKeyKMSZOKWMQNOQEX-GOSISDBHSA-N
XLogP2.50
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
1-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 96569241
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 98848393
1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 47082340
1-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-(4-cyanophenyl)urea
CID 52513610
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
1-benzyl-3-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 95201612
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47082202

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea?
The IUPAC name of 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea (CID 97226935) is 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea.
What is the SMILES notation for 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea?
The canonical SMILES for 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea is O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NC1(CO)CCCC1.
What is the InChIKey of 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea?
The InChIKey is KMSZOKWMQNOQEX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-16-20(10-4-5-11-20)22-19(25)21-13-18-9-6-12-23(15-18)14-17-7-2-1-3-8-17/h1-3,7-8,18,24H,4-6,9-16H2,(H2,21,22,25)/t18-/m1/s1.
What are the key properties of 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea?
1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea has a molecular weight of 345.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea is sourced from PubChem (CID 97226935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).