N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide

C22H26ClN5O2 — CID 1026482

IUPACN-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)C2CC2)cn1
InChIInChI=1S/C22H26ClN5O2/c1-16-14-25-20(15-24-16)22(30)28(18-5-6-18)8-7-21(29)27-11-9-26(10-12-27)19-4-2-3-17(23)13-19/h2-4,13-15,18H,5-12H2,1H3
InChIKeyXRLUSYCDJDBZTH-UHFFFAOYSA-N
MW427.94 g/mol
LogP2.78
Rot. Bonds6

About N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide (PubChem CID 1026482) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
PubChem CID1026482
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)C2CC2)cn1
InChIInChI=1S/C22H26ClN5O2/c1-16-14-25-20(15-24-16)22(30)28(18-5-6-18)8-7-21(29)27-11-9-26(10-12-27)19-4-2-3-17(23)13-19/h2-4,13-15,18H,5-12H2,1H3
InChIKeyXRLUSYCDJDBZTH-UHFFFAOYSA-N
XLogP2.78
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 4091593
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide
CID 5127582
N-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026464
N-(2-methoxyethyl)-5-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 4302470
N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783089
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 4253083
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide
CID 113115179
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methylpropyl)acetamide
CID 113115975
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
CID 9208338

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide (CID 1026482) is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)C2CC2)cn1.
What is the InChIKey of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide?
The InChIKey is XRLUSYCDJDBZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-16-14-25-20(15-24-16)22(30)28(18-5-6-18)8-7-21(29)27-11-9-26(10-12-27)19-4-2-3-17(23)13-19/h2-4,13-15,18H,5-12H2,1H3.
What are the key properties of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide?
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide has a molecular weight of 427.94 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 1026482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).