1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide

C25H32N4O2 — CID 26447107

IUPAC1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
SMILESO=C(NCc1ccc(CN2CCCC2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H32N4O2/c30-24(26-18-20-8-10-21(11-9-20)19-28-14-4-5-15-28)22-12-16-29(17-13-22)25(31)27-23-6-2-1-3-7-23/h1-3,6-11,22H,4-5,12-19H2,(H,26,30)(H,27,31)
InChIKeyBNKZPNQTOOVRQY-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.84
Rot. Bonds6

About 1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide

1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide (PubChem CID 26447107) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
PubChem CID26447107
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
SMILESO=C(NCc1ccc(CN2CCCC2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H32N4O2/c30-24(26-18-20-8-10-21(11-9-20)19-28-14-4-5-15-28)22-12-16-29(17-13-22)25(31)27-23-6-2-1-3-7-23/h1-3,6-11,22H,4-5,12-19H2,(H,26,30)(H,27,31)
InChIKeyBNKZPNQTOOVRQY-UHFFFAOYSA-N
XLogP3.84
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 31642647
4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478442
4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 17484027
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
CID 138041926
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9400507
1-[(2-fluorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917779
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide
CID 43815719
3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60617850
N-benzyl-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 26653391
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43917657

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide (CID 26447107) is 1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide is O=C(NCc1ccc(CN2CCCC2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide?
The InChIKey is BNKZPNQTOOVRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c30-24(26-18-20-8-10-21(11-9-20)19-28-14-4-5-15-28)22-12-16-29(17-13-22)25(31)27-23-6-2-1-3-7-23/h1-3,6-11,22H,4-5,12-19H2,(H,26,30)(H,27,31).
What are the key properties of 1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide?
1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 26447107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).