(4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone

C13H18ClN3O — CID 81233181

IUPAC(4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2cnccc2Cl)C1
InChIInChI=1S/C13H18ClN3O/c1-16(2)10-4-3-7-17(9-10)13(18)11-8-15-6-5-12(11)14/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyNDTDCBMDSYYXFM-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.90
Rot. Bonds2

About (4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone

(4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 81233181) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
PubChem CID81233181
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2cnccc2Cl)C1
InChIInChI=1S/C13H18ClN3O/c1-16(2)10-4-3-7-17(9-10)13(18)11-8-15-6-5-12(11)14/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyNDTDCBMDSYYXFM-UHFFFAOYSA-N
XLogP1.90
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 81226397
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(4-chloro-3-pyridinyl)methanone
CID 81226844
N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81227485
(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103873753
(5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090575
ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate
CID 103873858
(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63091284
[(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 102978397
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965
(3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 112576020
(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81118358
(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 114344485

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone (CID 81233181) is (4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCCN(C(=O)c2cnccc2Cl)C1.
What is the InChIKey of (4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is NDTDCBMDSYYXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-16(2)10-4-3-7-17(9-10)13(18)11-8-15-6-5-12(11)14/h5-6,8,10H,3-4,7,9H2,1-2H3.
What are the key properties of (4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
(4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 267.76 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 81233181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).