N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide

C22H31N5O2 — CID 24790580

IUPACN-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCCCc1cc(CN(C)C(=O)CC2C(=O)NCCN2Cc2ccccc2C)[nH]n1
InChIInChI=1S/C22H31N5O2/c1-4-7-18-12-19(25-24-18)15-26(3)21(28)13-20-22(29)23-10-11-27(20)14-17-9-6-5-8-16(17)2/h5-6,8-9,12,20H,4,7,10-11,13-15H2,1-3H3,(H,23,29)(H,24,25)
InChIKeyXVRJUSYGKRDYSN-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.02
Rot. Bonds8

About N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide

N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide (PubChem CID 24790580) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
PubChem CID24790580
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC NameN-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCCCc1cc(CN(C)C(=O)CC2C(=O)NCCN2Cc2ccccc2C)[nH]n1
InChIInChI=1S/C22H31N5O2/c1-4-7-18-12-19(25-24-18)15-26(3)21(28)13-20-22(29)23-10-11-27(20)14-17-9-6-5-8-16(17)2/h5-6,8-9,12,20H,4,7,10-11,13-15H2,1-3H3,(H,23,29)(H,24,25)
InChIKeyXVRJUSYGKRDYSN-UHFFFAOYSA-N
XLogP2.02
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10022354, Example 183
CID 121279732
(3R)-3-amino-4-(2,5-difluorophenyl)-1-{3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one
CID 23645917
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269
1-(4-Fluorophenyl)-2-[4-(5-methyl-2H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811418
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
CID 137638363
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-{3-oxo-1-[2-(trifluoromethyl)benzyl]-2-piperazinyl}acetamide
CID 16187815
N-methyl-2-{3-oxo-1-[2-(trifluoromethyl)benzyl]piperazin-2-yl}-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 16191596
5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide
CID 24790080
N-(3,4-dimethylphenyl)-1-[(3-isopropyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinamine
CID 24790525
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24790850
2-(1-benzyl-3-oxo-2-piperazinyl)-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]acetamide
CID 24817646
N-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20918275

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide (CID 24790580) is N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide is CCCc1cc(CN(C)C(=O)CC2C(=O)NCCN2Cc2ccccc2C)[nH]n1.
What is the InChIKey of N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide?
The InChIKey is XVRJUSYGKRDYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-4-7-18-12-19(25-24-18)15-26(3)21(28)13-20-22(29)23-10-11-27(20)14-17-9-6-5-8-16(17)2/h5-6,8-9,12,20H,4,7,10-11,13-15H2,1-3H3,(H,23,29)(H,24,25).
What are the key properties of N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide?
N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 24790580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).