N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide

C21H29N5O2 — CID 175659103

IUPACN-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(CCc2ccccc2)CCN1C(=O)CCn1nccc1C
InChIInChI=1S/C21H29N5O2/c1-17-8-11-23-26(17)13-10-20(27)25-15-14-24(16-19(25)21(28)22-2)12-9-18-6-4-3-5-7-18/h3-8,11,19H,9-10,12-16H2,1-2H3,(H,22,28)
InChIKeyZBUPOIPDRRAEHC-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.08
Rot. Bonds7

About N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide

N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 175659103) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID175659103
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(CCc2ccccc2)CCN1C(=O)CCn1nccc1C
InChIInChI=1S/C21H29N5O2/c1-17-8-11-23-26(17)13-10-20(27)25-15-14-24(16-19(25)21(28)22-2)12-9-18-6-4-3-5-7-18/h3-8,11,19H,9-10,12-16H2,1-2H3,(H,22,28)
InChIKeyZBUPOIPDRRAEHC-UHFFFAOYSA-N
XLogP1.08
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 110086145
N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175658408
(2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124979390
N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175657649
3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 45239749
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 124963523
N,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 110098413
5-methyl-1-(2-phenylethyl)pyrazole
CID 10419930
1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175658819
4-benzyl-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-2-carboxamide
CID 175657840
(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 125020372
4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide
CID 110086108

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide (CID 175659103) is N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide is CNC(=O)C1CN(CCc2ccccc2)CCN1C(=O)CCn1nccc1C.
What is the InChIKey of N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is ZBUPOIPDRRAEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-17-8-11-23-26(17)13-10-20(27)25-15-14-24(16-19(25)21(28)22-2)12-9-18-6-4-3-5-7-18/h3-8,11,19H,9-10,12-16H2,1-2H3,(H,22,28).
What are the key properties of N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide?
N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 175659103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).