N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide

C20H27N5O2 — CID 134045231

IUPACN-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1
InChIInChI=1S/C20H27N5O2/c1-2-8-21-19(26)16-23-11-13-24(14-12-23)20(27)18-6-4-17(5-7-18)15-25-10-3-9-22-25/h3-7,9-10H,2,8,11-16H2,1H3,(H,21,26)
InChIKeyWNDLWPGJVNZGHA-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.22
Rot. Bonds7

About N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide

N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 134045231) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID134045231
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1
InChIInChI=1S/C20H27N5O2/c1-2-8-21-19(26)16-23-11-13-24(14-12-23)20(27)18-6-4-17(5-7-18)15-25-10-3-9-22-25/h3-7,9-10H,2,8,11-16H2,1H3,(H,21,26)
InChIKeyWNDLWPGJVNZGHA-UHFFFAOYSA-N
XLogP1.22
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 39855099
[4-(2-hydroxypropyl)piperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 56802463
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 134036779
N-propyl-2-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 55372574
2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide
CID 134014588
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 55551039
2-[4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]-N-propylacetamide
CID 134014577
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
2-[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-N-propylacetamide
CID 55372592
N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623056

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide (CID 134045231) is N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide is CCCNC(=O)CN1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1.
What is the InChIKey of N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is WNDLWPGJVNZGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-2-8-21-19(26)16-23-11-13-24(14-12-23)20(27)18-6-4-17(5-7-18)15-25-10-3-9-22-25/h3-7,9-10H,2,8,11-16H2,1H3,(H,21,26).
What are the key properties of N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide?
N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 134045231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).