N-[2-[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]ethyl]acetamide

C27H30N4O2 — CID 174333147

IUPACN-[2-[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CN(C(=O)c2cccnc2)CCN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N4O2/c1-21(32)29-16-14-25-20-30(27(33)24-13-8-15-28-19-24)17-18-31(25)26(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-13,15,19,25-26H,14,16-18,20H2,1H3,(H,29,32)
InChIKeyLSDSHUXGZOPYTN-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.52
Rot. Bonds7

About N-[2-[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]ethyl]acetamide

N-[2-[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]ethyl]acetamide (PubChem CID 174333147) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[2-[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]ethyl]acetamide
PubChem CID174333147
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-[2-[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CN(C(=O)c2cccnc2)CCN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N4O2/c1-21(32)29-16-14-25-20-30(27(33)24-13-8-15-28-19-24)17-18-31(25)26(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-13,15,19,25-26H,14,16-18,20H2,1H3,(H,29,32)
InChIKeyLSDSHUXGZOPYTN-UHFFFAOYSA-N
XLogP3.52
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
[(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 174339665
N-[[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]methyl]-N-methyl-3-(tetrazol-1-yl)propanamide
CID 171797633
[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 166114858
[4-benzhydryl-3-(2-hydroxyethyl)piperazin-1-yl]-isoquinolin-4-ylmethanone
CID 178079698
[4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 91938736
[1-[cyclohexa-2,4-dien-1-yl(phenyl)methyl]-4-(pyridine-3-carbonyl)piperazin-2-yl]methyl pyridine-3-carboxylate
CID 174336345
2-[1-benzhydryl-4-(isoquinoline-4-carbonyl)piperazin-2-yl]-N-(2-methoxyethyl)acetamide
CID 178079924
N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 42114508
(4-benzhydryl-3-ethylpiperazin-1-yl)-thieno[2,3-c]pyridin-4-ylmethanone
CID 178079811
3-[[4-(5-aminopyridine-3-carbonyl)-2-(methylsulfonylmethyl)piperazin-1-yl]-phenylmethyl]benzonitrile
CID 171797707
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]ethyl]acetamide (CID 174333147) is N-[2-[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]ethyl]acetamide is CC(=O)NCCC1CN(C(=O)c2cccnc2)CCN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]ethyl]acetamide?
The InChIKey is LSDSHUXGZOPYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-21(32)29-16-14-25-20-30(27(33)24-13-8-15-28-19-24)17-18-31(25)26(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-13,15,19,25-26H,14,16-18,20H2,1H3,(H,29,32).
What are the key properties of N-[2-[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]ethyl]acetamide?
N-[2-[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]ethyl]acetamide has a molecular weight of 442.56 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]ethyl]acetamide is sourced from PubChem (CID 174333147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).