1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea

C19H26ClN3O3 — CID 170578486

IUPAC1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea
SMILESCC(=O)N1CCC(NC(=O)N[C@H](c2cccc(Cl)c2)[C@@H]2CCOC2)CC1
InChIInChI=1S/C19H26ClN3O3/c1-13(24)23-8-5-17(6-9-23)21-19(25)22-18(15-7-10-26-12-15)14-3-2-4-16(20)11-14/h2-4,11,15,17-18H,5-10,12H2,1H3,(H2,21,22,25)/t15-,18-/m1/s1
InChIKeyZLFCKFNEFFDCSM-CRAIPNDOSA-N
MW379.89 g/mol
LogP2.73
Rot. Bonds4

About 1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea

1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea (PubChem CID 170578486) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea
PubChem CID170578486
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea
SMILESCC(=O)N1CCC(NC(=O)N[C@H](c2cccc(Cl)c2)[C@@H]2CCOC2)CC1
InChIInChI=1S/C19H26ClN3O3/c1-13(24)23-8-5-17(6-9-23)21-19(25)22-18(15-7-10-26-12-15)14-3-2-4-16(20)11-14/h2-4,11,15,17-18H,5-10,12H2,1H3,(H2,21,22,25)/t15-,18-/m1/s1
InChIKeyZLFCKFNEFFDCSM-CRAIPNDOSA-N
XLogP2.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea with MolForge

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Related Compounds

1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 170579921
N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide
CID 170580551
ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 55457285
1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea
CID 170581158
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea
CID 25073596
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 170580748
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 113483469
1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea
CID 170579179
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 170579337
1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea
CID 115759275
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide
CID 170580165

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea (CID 170578486) is 1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea is CC(=O)N1CCC(NC(=O)N[C@H](c2cccc(Cl)c2)[C@@H]2CCOC2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea?
The InChIKey is ZLFCKFNEFFDCSM-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-13(24)23-8-5-17(6-9-23)21-19(25)22-18(15-7-10-26-12-15)14-3-2-4-16(20)11-14/h2-4,11,15,17-18H,5-10,12H2,1H3,(H2,21,22,25)/t15-,18-/m1/s1.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea?
1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea has a molecular weight of 379.89 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 170578486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).