N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide

C23H29N3O — CID 23139846

IUPACN-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CC(N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C23H29N3O/c27-23(24-16-21-9-5-2-6-10-21)26-17-22(18-26)25-13-11-20(12-14-25)15-19-7-3-1-4-8-19/h1-10,20,22H,11-18H2,(H,24,27)
InChIKeyOCDIRMKGWBYZKC-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.54
Rot. Bonds5

About N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide

N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide (PubChem CID 23139846) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide
PubChem CID23139846
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC NameN-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CC(N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C23H29N3O/c27-23(24-16-21-9-5-2-6-10-21)26-17-22(18-26)25-13-11-20(12-14-25)15-19-7-3-1-4-8-19/h1-10,20,22H,11-18H2,(H,24,27)
InChIKeyOCDIRMKGWBYZKC-UHFFFAOYSA-N
XLogP3.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide
CID 23140030
3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide
CID 23140585
3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
CID 67082537
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide
CID 23140490
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 110874461
3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654576
N-benzyl-2-(1-cyclopropylpiperidin-4-yl)acetamide
CID 110754741
N-benzyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 103876130
N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 24664554
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide (CID 23139846) is N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide is O=C(NCc1ccccc1)N1CC(N2CCC(Cc3ccccc3)CC2)C1.
What is the InChIKey of N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide?
The InChIKey is OCDIRMKGWBYZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-23(24-16-21-9-5-2-6-10-21)26-17-22(18-26)25-13-11-20(12-14-25)15-19-7-3-1-4-8-19/h1-10,20,22H,11-18H2,(H,24,27).
What are the key properties of N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide?
N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 23139846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).