4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide

C18H27N3O2 — CID 56783182

IUPAC4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
SMILESCc1cc(C)cc(C(C)NC(=O)N2CCC(CC(N)=O)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-12-8-13(2)10-16(9-12)14(3)20-18(23)21-6-4-15(5-7-21)11-17(19)22/h8-10,14-15H,4-7,11H2,1-3H3,(H2,19,22)(H,20,23)
InChIKeyBNGCYVHGJCQDTA-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.66
Rot. Bonds4

About 4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide

4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 56783182) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID56783182
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
SMILESCc1cc(C)cc(C(C)NC(=O)N2CCC(CC(N)=O)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-12-8-13(2)10-16(9-12)14(3)20-18(23)21-6-4-15(5-7-21)11-17(19)22/h8-10,14-15H,4-7,11H2,1-3H3,(H2,19,22)(H,20,23)
InChIKeyBNGCYVHGJCQDTA-UHFFFAOYSA-N
XLogP2.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615954
N-[1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 56783177
N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615955
4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 71892968
4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 56784402
2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide
CID 81297527
3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
CID 75423837
(2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927837
4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 95588981
2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
CID 106215532
2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid
CID 62710378
4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
CID 110894921

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide (CID 56783182) is 4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide is Cc1cc(C)cc(C(C)NC(=O)N2CCC(CC(N)=O)CC2)c1.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is BNGCYVHGJCQDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-8-13(2)10-16(9-12)14(3)20-18(23)21-6-4-15(5-7-21)11-17(19)22/h8-10,14-15H,4-7,11H2,1-3H3,(H2,19,22)(H,20,23).
What are the key properties of 4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide?
4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.66, 4 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-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 56783182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).