(4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone

C17H19ClN4O — CID 95628023

IUPAC(4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone
SMILESC[C@H](c1cccnc1)N1CCN(C(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C17H19ClN4O/c1-13(14-3-2-5-19-12-14)21-7-9-22(10-8-21)17(23)16-11-15(18)4-6-20-16/h2-6,11-13H,7-10H2,1H3/t13-/m1/s1
InChIKeyVZIPBMSPLGSDGL-CYBMUJFWSA-N
MW330.82 g/mol
LogP2.65
Rot. Bonds3

About (4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone

(4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone (PubChem CID 95628023) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is (4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone
PubChem CID95628023
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name(4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone
SMILESC[C@H](c1cccnc1)N1CCN(C(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C17H19ClN4O/c1-13(14-3-2-5-19-12-14)21-7-9-22(10-8-21)17(23)16-11-15(18)4-6-20-16/h2-6,11-13H,7-10H2,1H3/t13-/m1/s1
InChIKeyVZIPBMSPLGSDGL-CYBMUJFWSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 60548232
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine
CID 110452631
(3-aminophenyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903343
4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile
CID 56790884
(4-methyl-1,3-thiazol-5-yl)-[4-[(1R)-1-pyridin-3-ylethyl]-1,4-diazepan-1-yl]methanone
CID 95582279
(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903305
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
(4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706730
(2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 136525932
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 119903322

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone (CID 95628023) is (4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone is C[C@H](c1cccnc1)N1CCN(C(=O)c2cc(Cl)ccn2)CC1.
What is the InChIKey of (4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone?
The InChIKey is VZIPBMSPLGSDGL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-13(14-3-2-5-19-12-14)21-7-9-22(10-8-21)17(23)16-11-15(18)4-6-20-16/h2-6,11-13H,7-10H2,1H3/t13-/m1/s1.
What are the key properties of (4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone?
(4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone has a molecular weight of 330.82 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95628023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).