1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea

C19H29N3O2 — CID 110013035

IUPAC1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1N1CCCCC1)NCC1(O)CCCC1
InChIInChI=1S/C19H29N3O2/c23-18(21-15-19(24)10-4-5-11-19)20-14-16-8-2-3-9-17(16)22-12-6-1-7-13-22/h2-3,8-9,24H,1,4-7,10-15H2,(H2,20,21,23)
InChIKeyDPECDLWIZLJBTM-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.78
Rot. Bonds5

About 1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea

1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea (PubChem CID 110013035) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea
PubChem CID110013035
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1N1CCCCC1)NCC1(O)CCCC1
InChIInChI=1S/C19H29N3O2/c23-18(21-15-19(24)10-4-5-11-19)20-14-16-8-2-3-9-17(16)22-12-6-1-7-13-22/h2-3,8-9,24H,1,4-7,10-15H2,(H2,20,21,23)
InChIKeyDPECDLWIZLJBTM-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621560
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea
CID 72914253
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 110907910
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea
CID 75499728
1-[(1-hydroxycycloheptyl)methyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111426686
1-[(1-hydroxycyclohexyl)methyl]-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]urea
CID 110936545
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119853786
2-(2-piperidin-1-ylphenyl)acetohydrazide
CID 10847264
2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445871
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 119853759
4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide
CID 56548796

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea (CID 110013035) is 1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea is O=C(NCc1ccccc1N1CCCCC1)NCC1(O)CCCC1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea?
The InChIKey is DPECDLWIZLJBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-18(21-15-19(24)10-4-5-11-19)20-14-16-8-2-3-9-17(16)22-12-6-1-7-13-22/h2-3,8-9,24H,1,4-7,10-15H2,(H2,20,21,23).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea?
1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea has a molecular weight of 331.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea is sourced from PubChem (CID 110013035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).