(3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide

C19H23N5O2 — CID 125444704

IUPAC(3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCCn1cncc1CNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1
InChIInChI=1S/C19H23N5O2/c1-2-23-13-20-10-15(23)11-21-19(25)24-9-5-6-14(12-24)18-22-16-7-3-4-8-17(16)26-18/h3-4,7-8,10,13-14H,2,5-6,9,11-12H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeyQINRTGGKNGAKOP-AWEZNQCLSA-N
MW353.43 g/mol
LogP3.13
Rot. Bonds4

About (3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide

(3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 125444704) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide
PubChem CID125444704
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCCn1cncc1CNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1
InChIInChI=1S/C19H23N5O2/c1-2-23-13-20-10-15(23)11-21-19(25)24-9-5-6-14(12-24)18-22-16-7-3-4-8-17(16)26-18/h3-4,7-8,10,13-14H,2,5-6,9,11-12H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeyQINRTGGKNGAKOP-AWEZNQCLSA-N
XLogP3.13
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]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

(3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 125445470
3-(1,3-benzoxazol-2-yl)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 78886648
3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 71893273
N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide
CID 122569446
4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
CID 3761940
(3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 126423573
N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide;formic acid
CID 154911064
2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone
CID 91840708
3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide
CID 86999034
3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 86933260
(3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
CID 94031409
1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one
CID 126808828

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide (CID 125444704) is (3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide is CCn1cncc1CNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1.
What is the InChIKey of (3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is QINRTGGKNGAKOP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-2-23-13-20-10-15(23)11-21-19(25)24-9-5-6-14(12-24)18-22-16-7-3-4-8-17(16)26-18/h3-4,7-8,10,13-14H,2,5-6,9,11-12H2,1H3,(H,21,25)/t14-/m0/s1.
What are the key properties of (3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide?
(3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 125444704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).