4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide

C23H29N3O — CID 131945744

IUPAC4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CN2CCCC2)c1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O/c27-23(20-9-11-22(12-10-20)26-15-2-1-3-16-26)24-21-8-6-7-19(17-21)18-25-13-4-5-14-25/h6-12,17H,1-5,13-16,18H2,(H,24,27)
InChIKeyRZXJXGZCDBRLFU-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.53
Rot. Bonds5

About 4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide

4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide (PubChem CID 131945744) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
PubChem CID131945744
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CN2CCCC2)c1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O/c27-23(20-9-11-22(12-10-20)26-15-2-1-3-16-26)24-21-8-6-7-19(17-21)18-25-13-4-5-14-25/h6-12,17H,1-5,13-16,18H2,(H,24,27)
InChIKeyRZXJXGZCDBRLFU-UHFFFAOYSA-N
XLogP4.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
4-fluoro-N-[4-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]phenyl]benzamide
CID 44528282
N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide
CID 71893305
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34453463
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
4-cyano-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide;formic acid
CID 154912066
N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
CID 110295195
N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851171
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 19062870

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide (CID 131945744) is 4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide is O=C(Nc1cccc(CN2CCCC2)c1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is RZXJXGZCDBRLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-23(20-9-11-22(12-10-20)26-15-2-1-3-16-26)24-21-8-6-7-19(17-21)18-25-13-4-5-14-25/h6-12,17H,1-5,13-16,18H2,(H,24,27).
What are the key properties of 4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 363.51 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 131945744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).