1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea

C19H29N3O — CID 38887235

IUPAC1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
SMILESO=C(NCC1CCCC1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O/c23-19(20-14-16-6-4-5-7-16)21-18-10-12-22(13-11-18)15-17-8-2-1-3-9-17/h1-3,8-9,16,18H,4-7,10-15H2,(H2,20,21,23)
InChIKeyXDDGSZVFSINVAE-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.14
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea

1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea (PubChem CID 38887235) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
PubChem CID38887235
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
SMILESO=C(NCC1CCCC1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O/c23-19(20-14-16-6-4-5-7-16)21-18-10-12-22(13-11-18)15-17-8-2-1-3-9-17/h1-3,8-9,16,18H,4-7,10-15H2,(H2,20,21,23)
InChIKeyXDDGSZVFSINVAE-UHFFFAOYSA-N
XLogP3.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 86895951
1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 110902615
1-(1-benzylpiperidin-4-yl)-3-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 95144958
1-(1-benzylpiperidin-4-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 38886852
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
1-(1-benzylpiperidin-4-yl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890906
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95141495
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 51127812
1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea
CID 136517668

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea (CID 38887235) is 1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea is O=C(NCC1CCCC1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea?
The InChIKey is XDDGSZVFSINVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c23-19(20-14-16-6-4-5-7-16)21-18-10-12-22(13-11-18)15-17-8-2-1-3-9-17/h1-3,8-9,16,18H,4-7,10-15H2,(H2,20,21,23).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea?
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea has a molecular weight of 315.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea is sourced from PubChem (CID 38887235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).