3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide

C20H22N4O3 — CID 71893273

IUPAC3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCOc1ncccc1CNC(=O)N1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C20H22N4O3/c1-26-18-14(6-4-10-21-18)12-22-20(25)24-11-5-7-15(13-24)19-23-16-8-2-3-9-17(16)27-19/h2-4,6,8-10,15H,5,7,11-13H2,1H3,(H,22,25)
InChIKeyMVONTMZBUVOHOC-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.32
Rot. Bonds4

About 3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide

3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide (PubChem CID 71893273) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide
PubChem CID71893273
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCOc1ncccc1CNC(=O)N1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C20H22N4O3/c1-26-18-14(6-4-10-21-18)12-22-20(25)24-11-5-7-15(13-24)19-23-16-8-2-3-9-17(16)27-19/h2-4,6,8-10,15H,5,7,11-13H2,1H3,(H,22,25)
InChIKeyMVONTMZBUVOHOC-UHFFFAOYSA-N
XLogP3.32
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 34729954
2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 37076696
3-(1,3-benzoxazol-2-yl)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 78886648
(3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide
CID 125444704
4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 86912723
(3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 126423573
4-(1,3-benzoxazol-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 55798834
N-[(2-methoxy-3-pyridinyl)methyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 48712863
1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 118792880
4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
CID 3761940
3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 75131700
3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide
CID 136554718

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide (CID 71893273) is 3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide is COc1ncccc1CNC(=O)N1CCCC(c2nc3ccccc3o2)C1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide?
The InChIKey is MVONTMZBUVOHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-18-14(6-4-10-21-18)12-22-20(25)24-11-5-7-15(13-24)19-23-16-8-2-3-9-17(16)27-19/h2-4,6,8-10,15H,5,7,11-13H2,1H3,(H,22,25).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide?
3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71893273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).