1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea

C18H28N4OS — CID 96518828

IUPAC1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
SMILESCS[C@H]1CC[C@@H](NC(=O)NC2CCN(c3cccc(C)n3)CC2)C1
InChIInChI=1S/C18H28N4OS/c1-13-4-3-5-17(19-13)22-10-8-14(9-11-22)20-18(23)21-15-6-7-16(12-15)24-2/h3-5,14-16H,6-12H2,1-2H3,(H2,20,21,23)/t15-,16+/m1/s1
InChIKeyAZONIMHOMRUUGB-CVEARBPZSA-N
MW348.52 g/mol
LogP2.94
Rot. Bonds4

About 1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea

1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea (PubChem CID 96518828) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is 1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea.

Molecular Properties

Compound Name1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
PubChem CID96518828
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
SMILESCS[C@H]1CC[C@@H](NC(=O)NC2CCN(c3cccc(C)n3)CC2)C1
InChIInChI=1S/C18H28N4OS/c1-13-4-3-5-17(19-13)22-10-8-14(9-11-22)20-18(23)21-15-6-7-16(12-15)24-2/h3-5,14-16H,6-12H2,1-2H3,(H2,20,21,23)/t15-,16+/m1/s1
InChIKeyAZONIMHOMRUUGB-CVEARBPZSA-N
XLogP2.94
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea with MolForge

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Related Compounds

1-[(3-hydroxycyclohexyl)methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 111506438
1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 111506440
methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 62007370
2-amino-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide
CID 120800744
1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313226
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 86964410
4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide
CID 86964429
N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124519191
1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea
CID 133392231
1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 166603331
2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide
CID 86964134
N-[2-[[ethylamino-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide
CID 111995395

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea?
The IUPAC name of 1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea (CID 96518828) is 1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea.
What is the SMILES notation for 1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea?
The canonical SMILES for 1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea is CS[C@H]1CC[C@@H](NC(=O)NC2CCN(c3cccc(C)n3)CC2)C1.
What is the InChIKey of 1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea?
The InChIKey is AZONIMHOMRUUGB-CVEARBPZSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-13-4-3-5-17(19-13)22-10-8-14(9-11-22)20-18(23)21-15-6-7-16(12-15)24-2/h3-5,14-16H,6-12H2,1-2H3,(H2,20,21,23)/t15-,16+/m1/s1.
What are the key properties of 1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea?
1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea has a molecular weight of 348.52 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea is sourced from PubChem (CID 96518828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).