N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C23H32N4O5 — CID 56544295

IUPACN-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C23H32N4O5/c1-24-23(31)19-8-5-12-27(19)21(29)16-25-22(30)17-9-13-26(14-10-17)20(28)11-15-32-18-6-3-2-4-7-18/h2-4,6-7,17,19H,5,8-16H2,1H3,(H,24,31)(H,25,30)
InChIKeyOSMGQCKTOSIMSZ-UHFFFAOYSA-N
MW444.53 g/mol
LogP0.55
Rot. Bonds8

About N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 56544295) has the molecular formula C23H32N4O5 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID56544295
Molecular FormulaC23H32N4O5
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC NameN-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C23H32N4O5/c1-24-23(31)19-8-5-12-27(19)21(29)16-25-22(30)17-9-13-26(14-10-17)20(28)11-15-32-18-6-3-2-4-7-18/h2-4,6-7,17,19H,5,8-16H2,1H3,(H,24,31)(H,25,30)
InChIKeyOSMGQCKTOSIMSZ-UHFFFAOYSA-N
XLogP0.55
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid
CID 119176074
N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119643819
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 56533945
N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119995540
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753
N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55853684
1-(benzenesulfonyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]piperidine-3-carboxamide
CID 56544322

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 56544295) is N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is CNC(=O)C1CCCN1C(=O)CNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is OSMGQCKTOSIMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5/c1-24-23(31)19-8-5-12-27(19)21(29)16-25-22(30)17-9-13-26(14-10-17)20(28)11-15-32-18-6-3-2-4-7-18/h2-4,6-7,17,19H,5,8-16H2,1H3,(H,24,31)(H,25,30).
What are the key properties of N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 444.53 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 56544295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).