(4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone

C18H19ClN4O2 — CID 146321445

IUPAC(4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3cc(Cl)ccn3)CC2)ccc1N
InChIInChI=1S/C18H19ClN4O2/c1-12-10-13(2-3-15(12)20)17(24)22-6-8-23(9-7-22)18(25)16-11-14(19)4-5-21-16/h2-5,10-11H,6-9,20H2,1H3
InChIKeyLXLNPGHWPYFOSI-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.22
Rot. Bonds2

About (4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone

(4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 146321445) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone
PubChem CID146321445
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name(4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3cc(Cl)ccn3)CC2)ccc1N
InChIInChI=1S/C18H19ClN4O2/c1-12-10-13(2-3-15(12)20)17(24)22-6-8-23(9-7-22)18(25)16-11-14(19)4-5-21-16/h2-5,10-11H,6-9,20H2,1H3
InChIKeyLXLNPGHWPYFOSI-UHFFFAOYSA-N
XLogP2.22
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706730
4-(4-amino-3-methylbenzoyl)piperazine-1-carbaldehyde
CID 28748690
(4-chloro-2-pyridinyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 43019993
[4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 60939271
(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 18069676
ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
CID 43216980
4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide
CID 87026950
(4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 55164875
2-[4-(4-chloropyridine-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62823041
(4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103821216
2-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]acetonitrile
CID 103714855
3-[4-(4-amino-3-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 61160837

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone (CID 146321445) is (4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(C(=O)c3cc(Cl)ccn3)CC2)ccc1N.
What is the InChIKey of (4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is LXLNPGHWPYFOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-12-10-13(2-3-15(12)20)17(24)22-6-8-23(9-7-22)18(25)16-11-14(19)4-5-21-16/h2-5,10-11H,6-9,20H2,1H3.
What are the key properties of (4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone?
(4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 358.83 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 146321445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).