1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea

C15H21N3O2 — CID 95315387

IUPAC1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
SMILESCCNC(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C15H21N3O2/c1-2-16-15(20)17-13-9-6-10-18(11-13)14(19)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H2,16,17,20)/t13-/m0/s1
InChIKeyTVNHHSSBTFWFCG-ZDUSSCGKSA-N
MW275.35 g/mol
LogP1.61
Rot. Bonds3

About 1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea

1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea (PubChem CID 95315387) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
PubChem CID95315387
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
SMILESCCNC(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C15H21N3O2/c1-2-16-15(20)17-13-9-6-10-18(11-13)14(19)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H2,16,17,20)/t13-/m0/s1
InChIKeyTVNHHSSBTFWFCG-ZDUSSCGKSA-N
XLogP1.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea
CID 95151252
1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea
CID 53016498
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 95906190
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276174
N-[(3R)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276175
N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide
CID 95567400
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone
CID 72870613
(3S,4S)-3-N,4-N-bis[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3R)-3-(tridecylcarbamoylamino)piperidine-1-carbonyl]benzoyl]pyrrolidine-3,4-dicarboxamide
CID 167526131

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea?
The IUPAC name of 1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea (CID 95315387) is 1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea.
What is the SMILES notation for 1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea?
The canonical SMILES for 1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea is CCNC(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea?
The InChIKey is TVNHHSSBTFWFCG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-16-15(20)17-13-9-6-10-18(11-13)14(19)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H2,16,17,20)/t13-/m0/s1.
What are the key properties of 1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea?
1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea has a molecular weight of 275.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea is sourced from PubChem (CID 95315387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).