2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide

C23H31N3O — CID 8902107

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
SMILESCC[C@@H](C)NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-3-19(2)24-22(27)18-25-14-16-26(17-15-25)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,23H,3,14-18H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyKFVUYPRKHONSAG-LJQANCHMSA-N
MW365.52 g/mol
LogP3.31
Rot. Bonds7

About 2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide

2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide (PubChem CID 8902107) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
PubChem CID8902107
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
SMILESCC[C@@H](C)NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-3-19(2)24-22(27)18-25-14-16-26(17-15-25)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,23H,3,14-18H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyKFVUYPRKHONSAG-LJQANCHMSA-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-(methylcarbamoyl)acetamide
CID 31338650
4-benzhydryl-N-[(2S)-butan-2-yl]piperazine-1-carbothioamide
CID 7130379
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
N-butan-2-yl-2-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]acetamide
CID 86923612
3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 33177312
N-butan-2-yl-2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 86923605
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 134045501
2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide
CID 1439299
N-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide
CID 134045424
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone
CID 10339151
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide (CID 8902107) is 2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide is CC[C@@H](C)NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide?
The InChIKey is KFVUYPRKHONSAG-LJQANCHMSA-N. The full InChI is InChI=1S/C23H31N3O/c1-3-19(2)24-22(27)18-25-14-16-26(17-15-25)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,23H,3,14-18H2,1-2H3,(H,24,27)/t19-/m1/s1.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide?
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide 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 2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide is sourced from PubChem (CID 8902107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).