N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide

C21H32N4O2 — CID 136578180

IUPACN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)N2CCCC2CCc2ccccc2)CC1
InChIInChI=1S/C21H32N4O2/c1-22-20(26)16-24-14-11-18(12-15-24)23-21(27)25-13-5-8-19(25)10-9-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3,(H,22,26)(H,23,27)
InChIKeyGGPDXCLZLHFHQI-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.00
Rot. Bonds6

About N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide

N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide (PubChem CID 136578180) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide
PubChem CID136578180
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)N2CCCC2CCc2ccccc2)CC1
InChIInChI=1S/C21H32N4O2/c1-22-20(26)16-24-14-11-18(12-15-24)23-21(27)25-13-5-8-19(25)10-9-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3,(H,22,26)(H,23,27)
InChIKeyGGPDXCLZLHFHQI-UHFFFAOYSA-N
XLogP2.00
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 127591342
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
(2S)-2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119853476
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide
CID 49324541
3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 146130096
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 32525655
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
N-cyclopentyl-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316412
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 94182775
(2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119288459

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide (CID 136578180) is N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide is CNC(=O)CN1CCC(NC(=O)N2CCCC2CCc2ccccc2)CC1.
What is the InChIKey of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide?
The InChIKey is GGPDXCLZLHFHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-22-20(26)16-24-14-11-18(12-15-24)23-21(27)25-13-5-8-19(25)10-9-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide?
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136578180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).