N-(4-piperidin-3-ylphenyl)-4-propylbenzamide

C21H26N2O — CID 53251423

IUPACN-(4-piperidin-3-ylphenyl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccc(C3CCCNC3)cc2)cc1
InChIInChI=1S/C21H26N2O/c1-2-4-16-6-8-18(9-7-16)21(24)23-20-12-10-17(11-13-20)19-5-3-14-22-15-19/h6-13,19,22H,2-5,14-15H2,1H3,(H,23,24)
InChIKeyVDDCAZQOQFBSON-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.36
Rot. Bonds5

About N-(4-piperidin-3-ylphenyl)-4-propylbenzamide

N-(4-piperidin-3-ylphenyl)-4-propylbenzamide (PubChem CID 53251423) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(4-piperidin-3-ylphenyl)-4-propylbenzamide.

Molecular Properties

Compound NameN-(4-piperidin-3-ylphenyl)-4-propylbenzamide
PubChem CID53251423
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-(4-piperidin-3-ylphenyl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccc(C3CCCNC3)cc2)cc1
InChIInChI=1S/C21H26N2O/c1-2-4-16-6-8-18(9-7-16)21(24)23-20-12-10-17(11-13-20)19-5-3-14-22-15-19/h6-13,19,22H,2-5,14-15H2,1H3,(H,23,24)
InChIKeyVDDCAZQOQFBSON-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 124566433
N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide
CID 67241110
4-ethoxy-N-[4-[(3R)-piperidin-3-yl]phenyl]benzamide
CID 124566261
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride
CID 67241132
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
N-[(4-piperidin-3-ylphenyl)methyl]ethanamine
CID 116988263
3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride
CID 67844932
4-ethynyl-N-(4-pyrrolidin-3-ylphenyl)benzamide
CID 53250757
2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide
CID 87320848
3-(4-piperidin-3-ylphenyl)propanoic acid
CID 116988287
N-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide
CID 167835937

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-3-ylphenyl)-4-propylbenzamide?
The IUPAC name of N-(4-piperidin-3-ylphenyl)-4-propylbenzamide (CID 53251423) is N-(4-piperidin-3-ylphenyl)-4-propylbenzamide.
What is the SMILES notation for N-(4-piperidin-3-ylphenyl)-4-propylbenzamide?
The canonical SMILES for N-(4-piperidin-3-ylphenyl)-4-propylbenzamide is CCCc1ccc(C(=O)Nc2ccc(C3CCCNC3)cc2)cc1.
What is the InChIKey of N-(4-piperidin-3-ylphenyl)-4-propylbenzamide?
The InChIKey is VDDCAZQOQFBSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-4-16-6-8-18(9-7-16)21(24)23-20-12-10-17(11-13-20)19-5-3-14-22-15-19/h6-13,19,22H,2-5,14-15H2,1H3,(H,23,24).
What are the key properties of N-(4-piperidin-3-ylphenyl)-4-propylbenzamide?
N-(4-piperidin-3-ylphenyl)-4-propylbenzamide has a molecular weight of 322.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-3-ylphenyl)-4-propylbenzamide is sourced from PubChem (CID 53251423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).