3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide

C16H22ClN3O2 — CID 108566693

IUPAC3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
SMILESCC(C)(CCl)C(=O)NC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C16H22ClN3O2/c1-16(2,11-17)15(22)19-13-5-9-20(10-6-13)14(21)12-3-7-18-8-4-12/h3-4,7-8,13H,5-6,9-11H2,1-2H3,(H,19,22)
InChIKeyXPMVQDHWNKTTGJ-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.07
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide

3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide (PubChem CID 108566693) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
PubChem CID108566693
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
SMILESCC(C)(CCl)C(=O)NC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C16H22ClN3O2/c1-16(2,11-17)15(22)19-13-5-9-20(10-6-13)14(21)12-3-7-18-8-4-12/h3-4,7-8,13H,5-6,9-11H2,1-2H3,(H,19,22)
InChIKeyXPMVQDHWNKTTGJ-UHFFFAOYSA-N
XLogP2.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 108566261
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 110821216
(2S)-2-ethyl-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]but-3-enamide
CID 99636861
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
CID 108565757
2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 142457496
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
3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 63680198
N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide
CID 63681125
5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 136515255
2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide
CID 108551795
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide
CID 142457700

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide (CID 108566693) is 3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide is CC(C)(CCl)C(=O)NC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is XPMVQDHWNKTTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-16(2,11-17)15(22)19-13-5-9-20(10-6-13)14(21)12-3-7-18-8-4-12/h3-4,7-8,13H,5-6,9-11H2,1-2H3,(H,19,22).
What are the key properties of 3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide?
3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 323.82 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108566693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).