1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea

C19H29N3O2 — CID 110902615

IUPAC1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1(O)CCCC1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c23-18(20-15-19(24)10-4-5-11-19)21-17-8-12-22(13-9-17)14-16-6-2-1-3-7-16/h1-3,6-7,17,24H,4-5,8-15H2,(H2,20,21,23)
InChIKeyGDWSOPSLGJZURD-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.26
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea

1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 110902615) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID110902615
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1(O)CCCC1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c23-18(20-15-19(24)10-4-5-11-19)21-17-8-12-22(13-9-17)14-16-6-2-1-3-7-16/h1-3,6-7,17,24H,4-5,8-15H2,(H2,20,21,23)
InChIKeyGDWSOPSLGJZURD-UHFFFAOYSA-N
XLogP2.26
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111861088
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
1-(1-benzylpiperidin-4-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 38886852
1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea
CID 136517668
2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445977
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104143
1-[(1-phenylcyclopropyl)methyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 51122194
1-cyclobutyl-3-[(1-hydroxycyclopentyl)methyl]urea
CID 115642235
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 110986002
1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309373
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea (CID 110902615) is 1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea is O=C(NCC1(O)CCCC1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is GDWSOPSLGJZURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-18(20-15-19(24)10-4-5-11-19)21-17-8-12-22(13-9-17)14-16-6-2-1-3-7-16/h1-3,6-7,17,24H,4-5,8-15H2,(H2,20,21,23).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 331.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 110902615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).