2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone

C26H36N4O — CID 23649168

IUPAC2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCN1CCC(CN2CCN(C(=O)CNC(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C26H36N4O/c1-28-14-12-22(13-15-28)21-29-16-18-30(19-17-29)25(31)20-27-26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,22,26-27H,12-21H2,1H3
InChIKeyMSHFNUDKJNEAEF-UHFFFAOYSA-N
MW420.60 g/mol
LogP2.85
Rot. Bonds7

About 2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone

2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 23649168) has the molecular formula C26H36N4O and a molecular weight of 420.60 g/mol. Its IUPAC name is 2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID23649168
Molecular FormulaC26H36N4O
Molecular Weight420.60 g/mol
Exact Mass420.29
IUPAC Name2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCN1CCC(CN2CCN(C(=O)CNC(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C26H36N4O/c1-28-14-12-22(13-15-28)21-29-16-18-30(19-17-29)25(31)20-27-26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,22,26-27H,12-21H2,1H3
InChIKeyMSHFNUDKJNEAEF-UHFFFAOYSA-N
XLogP2.85
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 24794972
2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone
CID 55345495
ethyl 4-[2-(benzhydrylamino)acetyl]piperazine-1-carboxylate
CID 8596025
1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone
CID 62304031
2-[4-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8640450
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 45248772
2-[4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]piperazin-1-yl]-N-propylacetamide
CID 8641041
2-(benzhydrylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 8005837
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 56540097
2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 8864417
butane;1-[(1-methylpiperidin-4-yl)methyl]-4-phenylpiperazine
CID 171069804
2-[4-[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8863950

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone (CID 23649168) is 2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone is CN1CCC(CN2CCN(C(=O)CNC(c3ccccc3)c3ccccc3)CC2)CC1.
What is the InChIKey of 2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is MSHFNUDKJNEAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O/c1-28-14-12-22(13-15-28)21-29-16-18-30(19-17-29)25(31)20-27-26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,22,26-27H,12-21H2,1H3.
What are the key properties of 2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 420.60 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 23649168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).