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

C19H35N3O2 — CID 111104143

IUPAC1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1(O)CCCC1)NC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C19H35N3O2/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/h16-17,24H,1-15H2,(H2,20,21,23)
InChIKeyWLNLMXVLFKJVNK-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.64
Rot. Bonds5

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

1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111104143) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111104143
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1(O)CCCC1)NC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C19H35N3O2/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/h16-17,24H,1-15H2,(H2,20,21,23)
InChIKeyWLNLMXVLFKJVNK-UHFFFAOYSA-N
XLogP2.64
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-[(1-hydroxycyclopentyl)methyl]urea
CID 115642235
1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 110902615
N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-hydroxythiane-4-carboxamide
CID 84595006
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea
CID 60601131
1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111111817
1-[(1-hydroxycyclohexyl)methyl]-2-methyl-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119152692
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111508183
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea
CID 110936693
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 51127812
1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 97062806
1-(4-bromophenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 47083546
N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 47395832

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111104143) is 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea is O=C(NCC1(O)CCCC1)NC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is WLNLMXVLFKJVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/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/h16-17,24H,1-15H2,(H2,20,21,23).
What are the key properties of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea?
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 337.51 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111104143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).