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

C22H30N4O4 — CID 56533945

IUPACN-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C22H30N4O4/c1-23-22(30)18-10-6-12-26(18)20(28)14-24-21(29)17-9-5-11-25(15-17)19(27)13-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-15H2,1H3,(H,23,30)(H,24,29)
InChIKeyDWTWQOHNDKYAST-UHFFFAOYSA-N
MW414.51 g/mol
LogP0.32
Rot. Bonds6

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

N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 56533945) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID56533945
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C22H30N4O4/c1-23-22(30)18-10-6-12-26(18)20(28)14-24-21(29)17-9-5-11-25(15-17)19(27)13-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-15H2,1H3,(H,23,30)(H,24,29)
InChIKeyDWTWQOHNDKYAST-UHFFFAOYSA-N
XLogP0.32
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]piperidine-3-carboxamide
CID 56544322
(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 176713328
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 111464083
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 56544295
N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 119032269
N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 154780462
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 55652415
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119454204

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 56533945) is N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is CNC(=O)C1CCCN1C(=O)CNC(=O)C1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is DWTWQOHNDKYAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-23-22(30)18-10-6-12-26(18)20(28)14-24-21(29)17-9-5-11-25(15-17)19(27)13-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-15H2,1H3,(H,23,30)(H,24,29).
What are the key properties of N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 56533945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).