N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide

C19H29N3O — CID 120899589

IUPACN-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide
SMILESCC1(CN2CCCC(CNC(=O)c3ccccc3)C2)CCNC1
InChIInChI=1S/C19H29N3O/c1-19(9-10-20-14-19)15-22-11-5-6-16(13-22)12-21-18(23)17-7-3-2-4-8-17/h2-4,7-8,16,20H,5-6,9-15H2,1H3,(H,21,23)
InChIKeyBLSSZZDOWHXWGN-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.13
Rot. Bonds5

About N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide

N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide (PubChem CID 120899589) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide
PubChem CID120899589
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide
SMILESCC1(CN2CCCC(CNC(=O)c3ccccc3)C2)CCNC1
InChIInChI=1S/C19H29N3O/c1-19(9-10-20-14-19)15-22-11-5-6-16(13-22)12-21-18(23)17-7-3-2-4-8-17/h2-4,7-8,16,20H,5-6,9-15H2,1H3,(H,21,23)
InChIKeyBLSSZZDOWHXWGN-UHFFFAOYSA-N
XLogP2.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide?
The IUPAC name of N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide (CID 120899589) is N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide is CC1(CN2CCCC(CNC(=O)c3ccccc3)C2)CCNC1.
What is the InChIKey of N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide?
The InChIKey is BLSSZZDOWHXWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-19(9-10-20-14-19)15-22-11-5-6-16(13-22)12-21-18(23)17-7-3-2-4-8-17/h2-4,7-8,16,20H,5-6,9-15H2,1H3,(H,21,23).
What are the key properties of N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide?
N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide has a molecular weight of 315.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 120899589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).