N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide

C21H31N3O3 — CID 86919311

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide
SMILESCC(C(=O)N(C)CC(=O)NC1CC1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C21H31N3O3/c1-16(21(26)23(2)14-20(25)22-18-8-9-18)24-12-10-19(11-13-24)27-15-17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3,(H,22,25)
InChIKeyGRPLHVCPROWFHU-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.79
Rot. Bonds8

About N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide (PubChem CID 86919311) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide
PubChem CID86919311
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide
SMILESCC(C(=O)N(C)CC(=O)NC1CC1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C21H31N3O3/c1-16(21(26)23(2)14-20(25)22-18-8-9-18)24-12-10-19(11-13-24)27-15-17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3,(H,22,25)
InChIKeyGRPLHVCPROWFHU-UHFFFAOYSA-N
XLogP1.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95307830
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 120775612
N-benzyl-N-methyl-2-(4-methylpiperidin-1-yl)propanamide
CID 134062840
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide
CID 87018281
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
CID 56813373
N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 49492924
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
N-[1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide
CID 55850902
(2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide
CID 97218782
(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide
CID 164638463
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(N-methylanilino)benzamide
CID 78883691

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide (CID 86919311) is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide is CC(C(=O)N(C)CC(=O)NC1CC1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide?
The InChIKey is GRPLHVCPROWFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-16(21(26)23(2)14-20(25)22-18-8-9-18)24-12-10-19(11-13-24)27-15-17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide has a molecular weight of 373.50 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide is sourced from PubChem (CID 86919311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).