1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea

C19H30N4O2 — CID 111722313

IUPAC1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCC1(CNC(=O)NC2CCN(c3ccccn3)CC2)CCCCC1O
InChIInChI=1S/C19H30N4O2/c1-19(10-4-2-6-16(19)24)14-21-18(25)22-15-8-12-23(13-9-15)17-7-3-5-11-20-17/h3,5,7,11,15-16,24H,2,4,6,8-10,12-14H2,1H3,(H2,21,22,25)
InChIKeyZNMUHHCKGUFWNT-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.29
Rot. Bonds4

About 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea

1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea (PubChem CID 111722313) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
PubChem CID111722313
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCC1(CNC(=O)NC2CCN(c3ccccn3)CC2)CCCCC1O
InChIInChI=1S/C19H30N4O2/c1-19(10-4-2-6-16(19)24)14-21-18(25)22-15-8-12-23(13-9-15)17-7-3-5-11-20-17/h3,5,7,11,15-16,24H,2,4,6,8-10,12-14H2,1H3,(H2,21,22,25)
InChIKeyZNMUHHCKGUFWNT-UHFFFAOYSA-N
XLogP2.29
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea
CID 111722407
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111337198
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 111722272
2-(1-hydroxycyclohexyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 111331870
1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 56826840
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide
CID 143220536
1-(1-amino-2-methylpropan-2-yl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea;2,2,2-trifluoroacetic acid
CID 68534558
N-(4-fluorophenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]acetamide
CID 49255389
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea (CID 111722313) is 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea is CC1(CNC(=O)NC2CCN(c3ccccn3)CC2)CCCCC1O.
What is the InChIKey of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The InChIKey is ZNMUHHCKGUFWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-19(10-4-2-6-16(19)24)14-21-18(25)22-15-8-12-23(13-9-15)17-7-3-5-11-20-17/h3,5,7,11,15-16,24H,2,4,6,8-10,12-14H2,1H3,(H2,21,22,25).
What are the key properties of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea has a molecular weight of 346.48 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 111722313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).