1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea

C19H30N4O2 — CID 111506438

IUPAC1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
SMILESCc1cccc(N2CCC(NC(=O)NCC3CCCC(O)C3)CC2)n1
InChIInChI=1S/C19H30N4O2/c1-14-4-2-7-18(21-14)23-10-8-16(9-11-23)22-19(25)20-13-15-5-3-6-17(24)12-15/h2,4,7,15-17,24H,3,5-6,8-13H2,1H3,(H2,20,22,25)
InChIKeyYBFKBIBRXKTQCW-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.21
Rot. Bonds4

About 1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea

1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea (PubChem CID 111506438) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
PubChem CID111506438
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
SMILESCc1cccc(N2CCC(NC(=O)NCC3CCCC(O)C3)CC2)n1
InChIInChI=1S/C19H30N4O2/c1-14-4-2-7-18(21-14)23-10-8-16(9-11-23)22-19(25)20-13-15-5-3-6-17(24)12-15/h2,4,7,15-17,24H,3,5-6,8-13H2,1H3,(H2,20,22,25)
InChIKeyYBFKBIBRXKTQCW-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 111506440
1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
CID 96518828
1-[(3-hydroxycyclohexyl)methyl]-3-[1-(4-methylphenyl)piperidin-3-yl]urea
CID 111508510
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 86964410
1-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-3-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]urea
CID 167856636
1-[(3-hydroxycyclohexyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 111473469
1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 26974860
1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea
CID 141180797
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
N-[2-[[ethylamino-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide
CID 111995395
(2S)-2-ethyl-2-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine-4-carboxamide
CID 99824847
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 103801636

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea?
The IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea (CID 111506438) is 1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea is Cc1cccc(N2CCC(NC(=O)NCC3CCCC(O)C3)CC2)n1.
What is the InChIKey of 1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea?
The InChIKey is YBFKBIBRXKTQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14-4-2-7-18(21-14)23-10-8-16(9-11-23)22-19(25)20-13-15-5-3-6-17(24)12-15/h2,4,7,15-17,24H,3,5-6,8-13H2,1H3,(H2,20,22,25).
What are the key properties of 1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea?
1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea has a molecular weight of 346.48 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea is sourced from PubChem (CID 111506438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).