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

C18H30N4O2 — CID 111506440

IUPAC1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
SMILESCc1cccc(N2CCC(NC(=O)NCCC(O)C(C)C)CC2)n1
InChIInChI=1S/C18H30N4O2/c1-13(2)16(23)7-10-19-18(24)21-15-8-11-22(12-9-15)17-6-4-5-14(3)20-17/h4-6,13,15-16,23H,7-12H2,1-3H3,(H2,19,21,24)
InChIKeyOSOZNYFUYCQTAC-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.07
Rot. Bonds6

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

1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea (PubChem CID 111506440) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
PubChem CID111506440
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
SMILESCc1cccc(N2CCC(NC(=O)NCCC(O)C(C)C)CC2)n1
InChIInChI=1S/C18H30N4O2/c1-13(2)16(23)7-10-19-18(24)21-15-8-11-22(12-9-15)17-6-4-5-14(3)20-17/h4-6,13,15-16,23H,7-12H2,1-3H3,(H2,19,21,24)
InChIKeyOSOZNYFUYCQTAC-UHFFFAOYSA-N
XLogP2.07
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea
CID 111505174
1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111337198
1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 111506438
N-[2-[[ethylamino-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide
CID 111995395
1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
CID 96518828
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 86964410
2-amino-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide
CID 120800744
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine
CID 100900964
1-[(3S)-3-phenylbutyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 52511655
methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 62007370
N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124519191

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea?
The IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea (CID 111506440) is 1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea is Cc1cccc(N2CCC(NC(=O)NCCC(O)C(C)C)CC2)n1.
What is the InChIKey of 1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea?
The InChIKey is OSOZNYFUYCQTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13(2)16(23)7-10-19-18(24)21-15-8-11-22(12-9-15)17-6-4-5-14(3)20-17/h4-6,13,15-16,23H,7-12H2,1-3H3,(H2,19,21,24).
What are the key properties of 1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea?
1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea has a molecular weight of 334.46 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea is sourced from PubChem (CID 111506440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).