N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide

C21H31N3O3 — CID 119443941

IUPACN-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1)C1CCNCC1
InChIInChI=1S/C21H31N3O3/c1-23(18-9-12-22-13-10-18)21(26)17-6-5-14-24(16-17)20(25)11-15-27-19-7-3-2-4-8-19/h2-4,7-8,17-18,22H,5-6,9-16H2,1H3
InChIKeyACKFQJOHCHHTQK-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.90
Rot. Bonds6

About N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide

N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide (PubChem CID 119443941) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide
PubChem CID119443941
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1)C1CCNCC1
InChIInChI=1S/C21H31N3O3/c1-23(18-9-12-22-13-10-18)21(26)17-6-5-14-24(16-17)20(25)11-15-27-19-7-3-2-4-8-19/h2-4,7-8,17-18,22H,5-6,9-16H2,1H3
InChIKeyACKFQJOHCHHTQK-UHFFFAOYSA-N
XLogP1.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119417899
N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55967191
1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 119443592
N-cycloheptyl-N-methyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607775
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553019
1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 119376198
N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55967324
N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 55982263
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 139006517

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide (CID 119443941) is N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide is CN(C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1)C1CCNCC1.
What is the InChIKey of N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide?
The InChIKey is ACKFQJOHCHHTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-23(18-9-12-22-13-10-18)21(26)17-6-5-14-24(16-17)20(25)11-15-27-19-7-3-2-4-8-19/h2-4,7-8,17-18,22H,5-6,9-16H2,1H3.
What are the key properties of N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide?
N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 119443941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).