4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide

C18H20ClN5O2 — CID 166279953

IUPAC4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1cnc(CNC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C18H20ClN5O2/c1-13-10-21-16(11-20-13)12-22-18(26)24-8-6-23(7-9-24)17(25)14-2-4-15(19)5-3-14/h2-5,10-11H,6-9,12H2,1H3,(H,22,26)
InChIKeyMFCWPYWNEAYTSV-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.11
Rot. Bonds3

About 4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide

4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 166279953) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide
PubChem CID166279953
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1cnc(CNC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C18H20ClN5O2/c1-13-10-21-16(11-20-13)12-22-18(26)24-8-6-23(7-9-24)17(25)14-2-4-15(19)5-3-14/h2-5,10-11H,6-9,12H2,1H3,(H,22,26)
InChIKeyMFCWPYWNEAYTSV-UHFFFAOYSA-N
XLogP2.11
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylbenzoyl)-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide
CID 138994396
4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide
CID 119071790
N-(4-chlorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide
CID 62846100
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62847042
(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533707
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617679
5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848141
1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3472038
(3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide
CID 25368116
4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 136514396
[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39991441

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide (CID 166279953) is 4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide is Cc1cnc(CNC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of 4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is MFCWPYWNEAYTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-13-10-21-16(11-20-13)12-22-18(26)24-8-6-23(7-9-24)17(25)14-2-4-15(19)5-3-14/h2-5,10-11H,6-9,12H2,1H3,(H,22,26).
What are the key properties of 4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide?
4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 166279953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).