4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide

C19H29N3O2 — CID 56784402

IUPAC4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide
SMILESCc1ccc(CC(C)NC(=O)N2CCC(CC(N)=O)CC2)c(C)c1
InChIInChI=1S/C19H29N3O2/c1-13-4-5-17(14(2)10-13)11-15(3)21-19(24)22-8-6-16(7-9-22)12-18(20)23/h4-5,10,15-16H,6-9,11-12H2,1-3H3,(H2,20,23)(H,21,24)
InChIKeyBBRZGZSSKACSCU-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.53
Rot. Bonds5

About 4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide

4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 56784402) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide
PubChem CID56784402
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide
SMILESCc1ccc(CC(C)NC(=O)N2CCC(CC(N)=O)CC2)c(C)c1
InChIInChI=1S/C19H29N3O2/c1-13-4-5-17(14(2)10-13)11-15(3)21-19(24)22-8-6-16(7-9-22)12-18(20)23/h4-5,10,15-16H,6-9,11-12H2,1-3H3,(H2,20,23)(H,21,24)
InChIKeyBBRZGZSSKACSCU-UHFFFAOYSA-N
XLogP2.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]azepan-4-yl]-methylamino]acetic acid
CID 122001465
4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
CID 56783182
1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122726
3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
CID 75423837
4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 95588981
(3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 96522618
(2R)-2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]propanamide
CID 119321025
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119779219
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119779218
N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014569
1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide
CID 164636835
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119779216

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide (CID 56784402) is 4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide is Cc1ccc(CC(C)NC(=O)N2CCC(CC(N)=O)CC2)c(C)c1.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is BBRZGZSSKACSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13-4-5-17(14(2)10-13)11-15(3)21-19(24)22-8-6-16(7-9-22)12-18(20)23/h4-5,10,15-16H,6-9,11-12H2,1-3H3,(H2,20,23)(H,21,24).
What are the key properties of 4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide?
4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 56784402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).