N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide

C22H29N3O — CID 48732576

IUPACN-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
SMILESCC(NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O/c1-17(2)24-13-15-25(16-14-24)21-11-9-20(10-12-21)22(26)23-18(3)19-7-5-4-6-8-19/h4-12,17-18H,13-16H2,1-3H3,(H,23,26)
InChIKeySZTYKTXLXXOXCL-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.71
Rot. Bonds5

About N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide

N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide (PubChem CID 48732576) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
PubChem CID48732576
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
SMILESCC(NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O/c1-17(2)24-13-15-25(16-14-24)21-11-9-20(10-12-21)22(26)23-18(3)19-7-5-4-6-8-19/h4-12,17-18H,13-16H2,1-3H3,(H,23,26)
InChIKeySZTYKTXLXXOXCL-UHFFFAOYSA-N
XLogP3.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid
CID 119367760
(2R)-4-methyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]pentanoic acid
CID 119363797
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide
CID 45235166
N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732588
N-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide
CID 26345013
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 28636051
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-phenylethyl)benzamide
CID 18108333
4-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248478
methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 69129778

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The IUPAC name of N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide (CID 48732576) is N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The canonical SMILES for N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide is CC(NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The InChIKey is SZTYKTXLXXOXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17(2)24-13-15-25(16-14-24)21-11-9-20(10-12-21)22(26)23-18(3)19-7-5-4-6-8-19/h4-12,17-18H,13-16H2,1-3H3,(H,23,26).
What are the key properties of N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide has a molecular weight of 351.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide is sourced from PubChem (CID 48732576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).