N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

C22H29N3O — CID 1362793

IUPACN-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-3-18(2)23-22(26)20-11-9-19(10-12-20)17-24-13-15-25(16-14-24)21-7-5-4-6-8-21/h4-12,18H,3,13-17H2,1-2H3,(H,23,26)/t18-/m1/s1
InChIKeyQRVOZITYLXAMSP-GOSISDBHSA-N
MW351.49 g/mol
LogP3.54
Rot. Bonds6

About N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide (PubChem CID 1362793) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
PubChem CID1362793
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-3-18(2)23-22(26)20-11-9-19(10-12-20)17-24-13-15-25(16-14-24)21-7-5-4-6-8-21/h4-12,18H,3,13-17H2,1-2H3,(H,23,26)/t18-/m1/s1
InChIKeyQRVOZITYLXAMSP-GOSISDBHSA-N
XLogP3.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide
CID 20871735
N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 41453775
N-butan-2-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide
CID 46056232
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 42858918
N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109051475
N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide
CID 3259740
N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 41454477
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[2-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethynyl]benzamide
CID 59697625
1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine
CID 174263891

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide (CID 1362793) is N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is CC[C@@H](C)NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The InChIKey is QRVOZITYLXAMSP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-18(2)23-22(26)20-11-9-19(10-12-20)17-24-13-15-25(16-14-24)21-7-5-4-6-8-21/h4-12,18H,3,13-17H2,1-2H3,(H,23,26)/t18-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide has a molecular weight of 351.49 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 1362793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).