1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide

C16H24N4O2 — CID 97117053

IUPAC1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESC[C@@H](c1ccncc1)N(C)C(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C16H24N4O2/c1-12(13-3-7-18-8-4-13)19(2)15(21)11-20-9-5-14(6-10-20)16(17)22/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H2,17,22)/t12-/m0/s1
InChIKeySSYSPNLUJZELNH-LBPRGKRZSA-N
MW304.39 g/mol
LogP0.80
Rot. Bonds5

About 1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 97117053) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID97117053
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESC[C@@H](c1ccncc1)N(C)C(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C16H24N4O2/c1-12(13-3-7-18-8-4-13)19(2)15(21)11-20-9-5-14(6-10-20)16(17)22/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H2,17,22)/t12-/m0/s1
InChIKeySSYSPNLUJZELNH-LBPRGKRZSA-N
XLogP0.80
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 70739394
1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 70717535
1-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119903870
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
CID 79323070
1-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903869
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 115969261
1-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119906682
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 92968552
1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530726
2-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]acetamide
CID 43746847
N-butyl-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 78900799

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide (CID 97117053) is 1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide is C[C@@H](c1ccncc1)N(C)C(=O)CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is SSYSPNLUJZELNH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(13-3-7-18-8-4-13)19(2)15(21)11-20-9-5-14(6-10-20)16(17)22/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H2,17,22)/t12-/m0/s1.
What are the key properties of 1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 97117053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).