(2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide

C18H25N3O2 — CID 99636861

IUPAC(2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide
SMILESC=C[C@](C)(CC)C(=O)NC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C18H25N3O2/c1-4-18(3,5-2)17(23)20-15-8-12-21(13-9-15)16(22)14-6-10-19-11-7-14/h4,6-7,10-11,15H,1,5,8-9,12-13H2,2-3H3,(H,20,23)/t18-/m1/s1
InChIKeyBTPIIYYLHBGTSS-GOSISDBHSA-N
MW315.42 g/mol
LogP2.40
Rot. Bonds5

About (2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide

(2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide (PubChem CID 99636861) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide.

Molecular Properties

Compound Name(2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide
PubChem CID99636861
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide
SMILESC=C[C@](C)(CC)C(=O)NC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C18H25N3O2/c1-4-18(3,5-2)17(23)20-15-8-12-21(13-9-15)16(22)14-6-10-19-11-7-14/h4,6-7,10-11,15H,1,5,8-9,12-13H2,2-3H3,(H,20,23)/t18-/m1/s1
InChIKeyBTPIIYYLHBGTSS-GOSISDBHSA-N
XLogP2.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide 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

3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108566693
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 110821216
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211
2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 142457496
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide
CID 142457700
5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 136515255
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108552084
2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 47925520
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
CID 110821222
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-3-pyrrol-1-ylbutanamide
CID 56826392

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide?
The IUPAC name of (2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide (CID 99636861) is (2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide.
What is the SMILES notation for (2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide?
The canonical SMILES for (2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide is C=C[C@](C)(CC)C(=O)NC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of (2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide?
The InChIKey is BTPIIYYLHBGTSS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-18(3,5-2)17(23)20-15-8-12-21(13-9-15)16(22)14-6-10-19-11-7-14/h4,6-7,10-11,15H,1,5,8-9,12-13H2,2-3H3,(H,20,23)/t18-/m1/s1.
What are the key properties of (2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide?
(2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide has a molecular weight of 315.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide is sourced from PubChem (CID 99636861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).