3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide

C20H31N3O3 — CID 125442303

IUPAC3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide
SMILESCC[C@H](CNC(=O)N1CC(Oc2ccccc2OC)C1)N1CCCCC1
InChIInChI=1S/C20H31N3O3/c1-3-16(22-11-7-4-8-12-22)13-21-20(24)23-14-17(15-23)26-19-10-6-5-9-18(19)25-2/h5-6,9-10,16-17H,3-4,7-8,11-15H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyZSKILQDDLOAWQD-MRXNPFEDSA-N
MW361.49 g/mol
LogP2.73
Rot. Bonds7

About 3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide

3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide (PubChem CID 125442303) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide
PubChem CID125442303
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide
SMILESCC[C@H](CNC(=O)N1CC(Oc2ccccc2OC)C1)N1CCCCC1
InChIInChI=1S/C20H31N3O3/c1-3-16(22-11-7-4-8-12-22)13-21-20(24)23-14-17(15-23)26-19-10-6-5-9-18(19)25-2/h5-6,9-10,16-17H,3-4,7-8,11-15H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyZSKILQDDLOAWQD-MRXNPFEDSA-N
XLogP2.73
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenoxy)-N-(2-piperidin-1-ylbutyl)azetidine-1-carboxamide
CID 122564976
N-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide
CID 122564875
2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97149104
3-(2-methoxyphenoxy)-N-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]azetidine-1-carboxamide
CID 125177331
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 78888436
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111217370
3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide
CID 51658006
2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide
CID 110403913
methyl N-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70764459
4-(2-methylpyrimidin-4-yl)-N-[(2R)-2-piperidin-1-ylbutyl]piperidine-1-carboxamide
CID 125442702
2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide
CID 91830261
2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone
CID 97195949

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide?
The IUPAC name of 3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide (CID 125442303) is 3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide?
The canonical SMILES for 3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide is CC[C@H](CNC(=O)N1CC(Oc2ccccc2OC)C1)N1CCCCC1.
What is the InChIKey of 3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide?
The InChIKey is ZSKILQDDLOAWQD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-3-16(22-11-7-4-8-12-22)13-21-20(24)23-14-17(15-23)26-19-10-6-5-9-18(19)25-2/h5-6,9-10,16-17H,3-4,7-8,11-15H2,1-2H3,(H,21,24)/t16-/m1/s1.
What are the key properties of 3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide?
3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide is sourced from PubChem (CID 125442303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).