1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone

C17H26ClN5O — CID 124755816

IUPAC1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone
SMILESCN(C)[C@H]1CCN(CC(=O)N2CCN(c3ncccc3Cl)CC2)C1
InChIInChI=1S/C17H26ClN5O/c1-20(2)14-5-7-21(12-14)13-16(24)22-8-10-23(11-9-22)17-15(18)4-3-6-19-17/h3-4,6,14H,5,7-13H2,1-2H3/t14-/m0/s1
InChIKeyRGAUEGUHSFSUKY-AWEZNQCLSA-N
MW351.88 g/mol
LogP1.02
Rot. Bonds4

About 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone

1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone (PubChem CID 124755816) has the molecular formula C17H26ClN5O and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone
PubChem CID124755816
Molecular FormulaC17H26ClN5O
Molecular Weight351.88 g/mol
Exact Mass351.18
IUPAC Name1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone
SMILESCN(C)[C@H]1CCN(CC(=O)N2CCN(c3ncccc3Cl)CC2)C1
InChIInChI=1S/C17H26ClN5O/c1-20(2)14-5-7-21(12-14)13-16(24)22-8-10-23(11-9-22)17-15(18)4-3-6-19-17/h3-4,6,14H,5,7-13H2,1-2H3/t14-/m0/s1
InChIKeyRGAUEGUHSFSUKY-AWEZNQCLSA-N
XLogP1.02
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone 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

1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 124750688
1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 91835454
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 175826880
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 124750043
1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 91783558
3-amino-1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120872757
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 91796252
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-hydroxy-5,5-dimethylhexan-1-one
CID 126804842
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119918659
3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 97150239
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
CID 63165103
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 163354080

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone (CID 124755816) is 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone is CN(C)[C@H]1CCN(CC(=O)N2CCN(c3ncccc3Cl)CC2)C1.
What is the InChIKey of 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is RGAUEGUHSFSUKY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26ClN5O/c1-20(2)14-5-7-21(12-14)13-16(24)22-8-10-23(11-9-22)17-15(18)4-3-6-19-17/h3-4,6,14H,5,7-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone?
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 351.88 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124755816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).