(3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide

C19H25N3O3 — CID 94031409

IUPAC(3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)[C@H]1CCCO1
InChIInChI=1S/C19H25N3O3/c1-13(16-9-5-11-24-16)20-19(23)22-10-4-6-14(12-22)18-21-15-7-2-3-8-17(15)25-18/h2-3,7-8,13-14,16H,4-6,9-12H2,1H3,(H,20,23)/t13-,14-,16+/m0/s1
InChIKeyYBAWJPDLMZXNGB-OFQRWUPVSA-N
MW343.43 g/mol
LogP3.28
Rot. Bonds3

About (3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide

(3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide (PubChem CID 94031409) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
PubChem CID94031409
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)[C@H]1CCCO1
InChIInChI=1S/C19H25N3O3/c1-13(16-9-5-11-24-16)20-19(23)22-10-4-6-14(12-22)18-21-15-7-2-3-8-17(15)25-18/h2-3,7-8,13-14,16H,4-6,9-12H2,1H3,(H,20,23)/t13-,14-,16+/m0/s1
InChIKeyYBAWJPDLMZXNGB-OFQRWUPVSA-N
XLogP3.28
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide 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

(2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95592437
[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[(2S)-1,4-dioxan-2-yl]methanone
CID 38314468
(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 31987220
3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide
CID 86999034
4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
CID 3761940
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 86984028
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 46402844
[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 38317016
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 47026887
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 42957516
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 139599749
methyl 3-[[(3S)-3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]amino]-4-fluorobenzoate
CID 94166013

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide (CID 94031409) is (3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide is C[C@H](NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)[C@H]1CCCO1.
What is the InChIKey of (3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is YBAWJPDLMZXNGB-OFQRWUPVSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(16-9-5-11-24-16)20-19(23)22-10-4-6-14(12-22)18-21-15-7-2-3-8-17(15)25-18/h2-3,7-8,13-14,16H,4-6,9-12H2,1H3,(H,20,23)/t13-,14-,16+/m0/s1.
What are the key properties of (3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide?
(3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 94031409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).