1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone

C27H35N3O2 — CID 46162223

IUPAC1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone
SMILESCCN1CCN(C(=O)c2ccc(CN3CCC(C(C)=O)(c4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C27H35N3O2/c1-3-28-17-19-30(20-18-28)26(32)24-11-9-23(10-12-24)21-29-15-13-27(14-16-29,22(2)31)25-7-5-4-6-8-25/h4-12H,3,13-21H2,1-2H3
InChIKeyTYBDIFKFHFTRAE-UHFFFAOYSA-N
MW433.60 g/mol
LogP3.59
Rot. Bonds6

About 1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone

1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone (PubChem CID 46162223) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone
PubChem CID46162223
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone
SMILESCCN1CCN(C(=O)c2ccc(CN3CCC(C(C)=O)(c4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C27H35N3O2/c1-3-28-17-19-30(20-18-28)26(32)24-11-9-23(10-12-24)21-29-15-13-27(14-16-29,22(2)31)25-7-5-4-6-8-25/h4-12H,3,13-21H2,1-2H3
InChIKeyTYBDIFKFHFTRAE-UHFFFAOYSA-N
XLogP3.59
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46043505
N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide
CID 29140903
3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide
CID 46056055
(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 59395182
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone;oxalic acid
CID 17366305
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46762925
1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone
CID 42859164
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366016
(4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 9071302
1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide
CID 55779960

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone (CID 46162223) is 1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone is CCN1CCN(C(=O)c2ccc(CN3CCC(C(C)=O)(c4ccccc4)CC3)cc2)CC1.
What is the InChIKey of 1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone?
The InChIKey is TYBDIFKFHFTRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-3-28-17-19-30(20-18-28)26(32)24-11-9-23(10-12-24)21-29-15-13-27(14-16-29,22(2)31)25-7-5-4-6-8-25/h4-12H,3,13-21H2,1-2H3.
What are the key properties of 1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone?
1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone has a molecular weight of 433.60 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone is sourced from PubChem (CID 46162223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).