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

C21H24N4O3 — CID 122559189

IUPACN-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
SMILESCc1cccc2oc(CNC(=O)N3CCCC(OCc4ccccn4)C3)nc12
InChIInChI=1S/C21H24N4O3/c1-15-6-4-9-18-20(15)24-19(28-18)12-23-21(26)25-11-5-8-17(13-25)27-14-16-7-2-3-10-22-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,23,26)
InChIKeyAPHDCEJSVUOCPA-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.42
Rot. Bonds5

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

N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide (PubChem CID 122559189) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
PubChem CID122559189
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
SMILESCc1cccc2oc(CNC(=O)N3CCCC(OCc4ccccn4)C3)nc12
InChIInChI=1S/C21H24N4O3/c1-15-6-4-9-18-20(15)24-19(28-18)12-23-21(26)25-11-5-8-17(13-25)27-14-16-7-2-3-10-22-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,23,26)
InChIKeyAPHDCEJSVUOCPA-UHFFFAOYSA-N
XLogP3.42
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 126453895
(3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 126427006
N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 122571012
(2-methyl-1-benzofuran-5-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 72939536
N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 122566518
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 131939331
2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 97134776
2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
CID 99929823
1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 91770782
[5-(methoxymethyl)furan-2-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70711514
(3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 125170232

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
The IUPAC name of N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide (CID 122559189) is N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide is Cc1cccc2oc(CNC(=O)N3CCCC(OCc4ccccn4)C3)nc12.
What is the InChIKey of N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
The InChIKey is APHDCEJSVUOCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15-6-4-9-18-20(15)24-19(28-18)12-23-21(26)25-11-5-8-17(13-25)27-14-16-7-2-3-10-22-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,23,26).
What are the key properties of N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 122559189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).