N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide

C22H26N2O3 — CID 26167540

IUPACN-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-16-27-20-12-8-17(9-13-20)21(25)23-19-10-6-18(7-11-19)22(26)24-14-4-3-5-15-24/h6-13H,2-5,14-16H2,1H3,(H,23,25)
InChIKeyYPTJUODDZVQHHV-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.35
Rot. Bonds6

About N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide

N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide (PubChem CID 26167540) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
PubChem CID26167540
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-16-27-20-12-8-17(9-13-20)21(25)23-19-10-6-18(7-11-19)22(26)24-14-4-3-5-15-24/h6-13H,2-5,14-16H2,1H3,(H,23,25)
InChIKeyYPTJUODDZVQHHV-UHFFFAOYSA-N
XLogP4.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide?
The IUPAC name of N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide (CID 26167540) is N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide.
What is the SMILES notation for N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide?
The canonical SMILES for N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide?
The InChIKey is YPTJUODDZVQHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-16-27-20-12-8-17(9-13-20)21(25)23-19-10-6-18(7-11-19)22(26)24-14-4-3-5-15-24/h6-13H,2-5,14-16H2,1H3,(H,23,25).
What are the key properties of N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide?
N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide has a molecular weight of 366.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 26167540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).