3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide

C23H31N3O — CID 33177312

IUPAC3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-19(2)24-22(27)13-14-25-15-17-26(18-16-25)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,23H,13-18H2,1-2H3,(H,24,27)
InChIKeyXSEIDSQJBXANHU-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.31
Rot. Bonds7

About 3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide

3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide (PubChem CID 33177312) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
PubChem CID33177312
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-19(2)24-22(27)13-14-25-15-17-26(18-16-25)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,23H,13-18H2,1-2H3,(H,24,27)
InChIKeyXSEIDSQJBXANHU-UHFFFAOYSA-N
XLogP3.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine;oxalic acid
CID 71411854
3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide
CID 10365291
3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 24589378
N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24588722
3-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 24588553
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
3-(4-benzhydrylpiperazin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 15645947
3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide
CID 5112014
2-(4-benzhydrylpiperazin-1-yl)ethyl acetate
CID 57189910
N-[(1R)-2-hydroxy-1-phenylethyl]-3-pyrrolidin-1-ylpropanamide
CID 103944653
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide (CID 33177312) is 3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is XSEIDSQJBXANHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-19(2)24-22(27)13-14-25-15-17-26(18-16-25)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,23H,13-18H2,1-2H3,(H,24,27).
What are the key properties of 3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide?
3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 365.52 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 33177312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).