3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide

C27H32N4O — CID 10365291

IUPAC3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide
SMILESCc1cc(C)nc(NC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C27H32N4O/c1-21-19-22(2)28-25(20-21)29-26(32)13-14-30-15-17-31(18-16-30)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,19-20,27H,13-18H2,1-2H3,(H,28,29,32)
InChIKeyFUCDCSAKFIBDPM-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.43
Rot. Bonds7

About 3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide

3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide (PubChem CID 10365291) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide
PubChem CID10365291
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide
SMILESCc1cc(C)nc(NC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C27H32N4O/c1-21-19-22(2)28-25(20-21)29-26(32)13-14-30-15-17-31(18-16-30)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,19-20,27H,13-18H2,1-2H3,(H,28,29,32)
InChIKeyFUCDCSAKFIBDPM-UHFFFAOYSA-N
XLogP4.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 33177312
3-(4-benzhydrylpiperazin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 15645947
N-(4,6-dimethyl-2-pyridinyl)-2,2-diphenylacetamide
CID 844918
3-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 24588553
3-(4-benzhydrylpiperazin-1-yl)-N-(2-oxochromen-6-yl)propanamide
CID 176507451
3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide
CID 5112014
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 15143638
2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 10432016
3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 91833416
4-[2-(4-benzhydrylpiperazin-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 3066626
2-(4-benzhydrylpiperazin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 648425
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine;oxalic acid
CID 71411854

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide (CID 10365291) is 3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide is Cc1cc(C)nc(NC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of 3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide?
The InChIKey is FUCDCSAKFIBDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-21-19-22(2)28-25(20-21)29-26(32)13-14-30-15-17-31(18-16-30)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,19-20,27H,13-18H2,1-2H3,(H,28,29,32).
What are the key properties of 3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide?
3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide has a molecular weight of 428.58 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide is sourced from PubChem (CID 10365291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).