(3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide

C17H28N4O3 — CID 93070814

IUPAC(3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@H]1CCCN(c2cc(=O)n(C)c(=O)n2CC)C1
InChIInChI=1S/C17H28N4O3/c1-4-6-9-18-16(23)13-8-7-10-20(12-13)14-11-15(22)19(3)17(24)21(14)5-2/h11,13H,4-10,12H2,1-3H3,(H,18,23)/t13-/m0/s1
InChIKeyURZJDZIHIFUAMY-ZDUSSCGKSA-N
MW336.44 g/mol
LogP0.70
Rot. Bonds6

About (3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide

(3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 93070814) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID93070814
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@H]1CCCN(c2cc(=O)n(C)c(=O)n2CC)C1
InChIInChI=1S/C17H28N4O3/c1-4-6-9-18-16(23)13-8-7-10-20(12-13)14-11-15(22)19(3)17(24)21(14)5-2/h11,13H,4-10,12H2,1-3H3,(H,18,23)/t13-/m0/s1
InChIKeyURZJDZIHIFUAMY-ZDUSSCGKSA-N
XLogP0.70
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-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

(3S)-N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086004
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 53107366
(3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95085974
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 53010395
N-(3,4-dimethylphenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 53107376
(3S)-N-(3,5-dimethoxyphenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086014
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 53107368
(3S)-N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 93061242
1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 93070816
(3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 93070805
(3R)-N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086121
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95086065

Frequently Asked Questions

What is the IUPAC name of (3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide (CID 93070814) is (3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide is CCCCNC(=O)[C@H]1CCCN(c2cc(=O)n(C)c(=O)n2CC)C1.
What is the InChIKey of (3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is URZJDZIHIFUAMY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-4-6-9-18-16(23)13-8-7-10-20(12-13)14-11-15(22)19(3)17(24)21(14)5-2/h11,13H,4-10,12H2,1-3H3,(H,18,23)/t13-/m0/s1.
What are the key properties of (3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
(3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 93070814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).