3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide

C17H25N3O2 — CID 110821216

IUPAC3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
SMILESCC(C)(C)CC(=O)NC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C17H25N3O2/c1-17(2,3)12-15(21)19-14-6-10-20(11-7-14)16(22)13-4-8-18-9-5-13/h4-5,8-9,14H,6-7,10-12H2,1-3H3,(H,19,21)
InChIKeyPZVCKDINUKXTFX-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.24
Rot. Bonds3

About 3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide

3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide (PubChem CID 110821216) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
PubChem CID110821216
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
SMILESCC(C)(C)CC(=O)NC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C17H25N3O2/c1-17(2,3)12-15(21)19-14-6-10-20(11-7-14)16(22)13-4-8-18-9-5-13/h4-5,8-9,14H,6-7,10-12H2,1-3H3,(H,19,21)
InChIKeyPZVCKDINUKXTFX-UHFFFAOYSA-N
XLogP2.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821662
3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108566693
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821022
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
[4-[4-(3,3-dimethylbutanoylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108563377
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211
4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108552084
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821514
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-3-pyrrol-1-ylbutanamide
CID 56826392
(2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide
CID 99636861
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 154774747
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110819893

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide (CID 110821216) is 3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide is CC(C)(C)CC(=O)NC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of 3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide?
The InChIKey is PZVCKDINUKXTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-17(2,3)12-15(21)19-14-6-10-20(11-7-14)16(22)13-4-8-18-9-5-13/h4-5,8-9,14H,6-7,10-12H2,1-3H3,(H,19,21).
What are the key properties of 3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide?
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide has a molecular weight of 303.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 110821216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).