N-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide

C27H38N4O — CID 126539557

IUPACN-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCN(C)CC1)c1ccccc1
InChIInChI=1S/C27H38N4O/c1-3-26(32)31(25-12-8-5-9-13-25)23-27(14-16-28(2)17-15-27)30-20-18-29(19-21-30)22-24-10-6-4-7-11-24/h4-13H,3,14-23H2,1-2H3
InChIKeyIBHQWHKVWRYMBH-UHFFFAOYSA-N
MW434.63 g/mol
LogP3.71
Rot. Bonds7

About N-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide

N-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide (PubChem CID 126539557) has the molecular formula C27H38N4O and a molecular weight of 434.63 g/mol. Its IUPAC name is N-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide
PubChem CID126539557
Molecular FormulaC27H38N4O
Molecular Weight434.63 g/mol
Exact Mass434.30
IUPAC NameN-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCN(C)CC1)c1ccccc1
InChIInChI=1S/C27H38N4O/c1-3-26(32)31(25-12-8-5-9-13-25)23-27(14-16-28(2)17-15-27)30-20-18-29(19-21-30)22-24-10-6-4-7-11-24/h4-13H,3,14-23H2,1-2H3
InChIKeyIBHQWHKVWRYMBH-UHFFFAOYSA-N
XLogP3.71
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide?
The IUPAC name of N-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide (CID 126539557) is N-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide.
What is the SMILES notation for N-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide?
The canonical SMILES for N-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide is CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCN(C)CC1)c1ccccc1.
What is the InChIKey of N-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide?
The InChIKey is IBHQWHKVWRYMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O/c1-3-26(32)31(25-12-8-5-9-13-25)23-27(14-16-28(2)17-15-27)30-20-18-29(19-21-30)22-24-10-6-4-7-11-24/h4-13H,3,14-23H2,1-2H3.
What are the key properties of N-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide?
N-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide has a molecular weight of 434.63 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide is sourced from PubChem (CID 126539557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).