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

C23H29N5O2 — CID 1026459

IUPACN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)N2CCN(Cc3ccccc3)CC2)C2CC2)cn1
InChIInChI=1S/C23H29N5O2/c1-18-15-25-21(16-24-18)23(30)28(20-7-8-20)10-9-22(29)27-13-11-26(12-14-27)17-19-5-3-2-4-6-19/h2-6,15-16,20H,7-14,17H2,1H3
InChIKeyUQNIBXIZWYERGY-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.12
Rot. Bonds7

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

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide (PubChem CID 1026459) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
PubChem CID1026459
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)N2CCN(Cc3ccccc3)CC2)C2CC2)cn1
InChIInChI=1S/C23H29N5O2/c1-18-15-25-21(16-24-18)23(30)28(20-7-8-20)10-9-22(29)27-13-11-26(12-14-27)17-19-5-3-2-4-6-19/h2-6,15-16,20H,7-14,17H2,1H3
InChIKeyUQNIBXIZWYERGY-UHFFFAOYSA-N
XLogP2.12
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 1026457
N-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 816542
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide
CID 113115363
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
N-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026464
N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783089
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779627
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide
CID 84561869
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-benzyl-5-methylpyrazine-2-carboxamide
CID 1026333
N-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 5054791
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide
CID 3593463
N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 3484696

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide (CID 1026459) is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)N2CCN(Cc3ccccc3)CC2)C2CC2)cn1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide?
The InChIKey is UQNIBXIZWYERGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-18-15-25-21(16-24-18)23(30)28(20-7-8-20)10-9-22(29)27-13-11-26(12-14-27)17-19-5-3-2-4-6-19/h2-6,15-16,20H,7-14,17H2,1H3.
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide?
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 1026459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).