3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide

C21H26N4O2 — CID 97434495

IUPAC3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide
SMILESC[C@H]1CCCCN1C1CN(C(=O)Nc2ccc(Oc3cccnc3)cc2)C1
InChIInChI=1S/C21H26N4O2/c1-16-5-2-3-12-25(16)18-14-24(15-18)21(26)23-17-7-9-19(10-8-17)27-20-6-4-11-22-13-20/h4,6-11,13,16,18H,2-3,5,12,14-15H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyPPWSPGDYFCXBNH-INIZCTEOSA-N
MW366.46 g/mol
LogP3.96
Rot. Bonds4

About 3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide

3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide (PubChem CID 97434495) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide
PubChem CID97434495
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide
SMILESC[C@H]1CCCCN1C1CN(C(=O)Nc2ccc(Oc3cccnc3)cc2)C1
InChIInChI=1S/C21H26N4O2/c1-16-5-2-3-12-25(16)18-14-24(15-18)21(26)23-17-7-9-19(10-8-17)27-20-6-4-11-22-13-20/h4,6-11,13,16,18H,2-3,5,12,14-15H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyPPWSPGDYFCXBNH-INIZCTEOSA-N
XLogP3.96
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4aS,8aS)-4a-hydroxy-N-(4-pyridin-3-yloxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 91835309
N-(4-pyridin-3-yloxyphenyl)cyclopentanecarboxamide
CID 154837757
N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97435446
1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
CID 96582023
N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97454764
N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide
CID 74251036
(2S)-1-[(E)-2-methylbut-2-enyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 42533238
N-(2-chloro-6-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97268968
1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
CID 42533025
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97437208
N-[3-(furan-2-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125176510
N-pyridin-3-yl-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47050086

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide (CID 97434495) is 3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide is C[C@H]1CCCCN1C1CN(C(=O)Nc2ccc(Oc3cccnc3)cc2)C1.
What is the InChIKey of 3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide?
The InChIKey is PPWSPGDYFCXBNH-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16-5-2-3-12-25(16)18-14-24(15-18)21(26)23-17-7-9-19(10-8-17)27-20-6-4-11-22-13-20/h4,6-11,13,16,18H,2-3,5,12,14-15H2,1H3,(H,23,26)/t16-/m0/s1.
What are the key properties of 3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide?
3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 97434495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).