4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide

C20H31N3O3 — CID 122560980

IUPAC4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCCCOc1ccccc1CNC(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C20H31N3O3/c1-2-13-26-19-6-4-3-5-17(19)16-21-20(24)23-9-7-18(8-10-23)22-11-14-25-15-12-22/h3-6,18H,2,7-16H2,1H3,(H,21,24)
InChIKeyNCXWTKBNWQAFJR-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.48
Rot. Bonds6

About 4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide

4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 122560980) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID122560980
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCCCOc1ccccc1CNC(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C20H31N3O3/c1-2-13-26-19-6-4-3-5-17(19)16-21-20(24)23-9-7-18(8-10-23)22-11-14-25-15-12-22/h3-6,18H,2,7-16H2,1H3,(H,21,24)
InChIKeyNCXWTKBNWQAFJR-UHFFFAOYSA-N
XLogP2.48
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727886
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727932
(2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 125444999
2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 122568396
N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 111459230
1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone
CID 43277297
3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide
CID 110922264
N'-methyl-3-morpholin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111728170
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide
CID 138044085
4-acetyl-N-[2-(2-ethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112971649
(3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 98203831

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide (CID 122560980) is 4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide is CCCOc1ccccc1CNC(=O)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is NCXWTKBNWQAFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-2-13-26-19-6-4-3-5-17(19)16-21-20(24)23-9-7-18(8-10-23)22-11-14-25-15-12-22/h3-6,18H,2,7-16H2,1H3,(H,21,24).
What are the key properties of 4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide?
4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 122560980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).