N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide

C34H44N4O — CID 10186514

IUPACN-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(CN2CCC(CCCC3CCN(Cc4ccncc4)CC3)CC2)c1
InChIInChI=1S/C34H44N4O/c39-34(36-25-30-6-2-1-3-7-30)33-11-5-10-32(24-33)27-38-22-16-29(17-23-38)9-4-8-28-14-20-37(21-15-28)26-31-12-18-35-19-13-31/h1-3,5-7,10-13,18-19,24,28-29H,4,8-9,14-17,20-23,25-27H2,(H,36,39)
InChIKeyQKLCAROLWOEXRY-UHFFFAOYSA-N
MW524.75 g/mol
LogP6.31
Rot. Bonds11

About N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide

N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide (PubChem CID 10186514) has the molecular formula C34H44N4O and a molecular weight of 524.75 g/mol. Its IUPAC name is N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide
PubChem CID10186514
Molecular FormulaC34H44N4O
Molecular Weight524.75 g/mol
Exact Mass524.35
IUPAC NameN-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(CN2CCC(CCCC3CCN(Cc4ccncc4)CC3)CC2)c1
InChIInChI=1S/C34H44N4O/c39-34(36-25-30-6-2-1-3-7-30)33-11-5-10-32(24-33)27-38-22-16-29(17-23-38)9-4-8-28-14-20-37(21-15-28)26-31-12-18-35-19-13-31/h1-3,5-7,10-13,18-19,24,28-29H,4,8-9,14-17,20-23,25-27H2,(H,36,39)
InChIKeyQKLCAROLWOEXRY-UHFFFAOYSA-N
XLogP6.31
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.75
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide with MolForge

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Related Compounds

N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
CID 42850884
3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 43921921
1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 10165231
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 42850898
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 43917996
N-benzyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 46943272
N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide
CID 42858908
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide
CID 91479022
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide?
The IUPAC name of N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide (CID 10186514) is N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide is O=C(NCc1ccccc1)c1cccc(CN2CCC(CCCC3CCN(Cc4ccncc4)CC3)CC2)c1.
What is the InChIKey of N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide?
The InChIKey is QKLCAROLWOEXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N4O/c39-34(36-25-30-6-2-1-3-7-30)33-11-5-10-32(24-33)27-38-22-16-29(17-23-38)9-4-8-28-14-20-37(21-15-28)26-31-12-18-35-19-13-31/h1-3,5-7,10-13,18-19,24,28-29H,4,8-9,14-17,20-23,25-27H2,(H,36,39).
What are the key properties of N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide?
N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide has a molecular weight of 524.75 g/mol, XLogP of 6.31, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 10186514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).