N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide

C14H19N3O — CID 23140407

IUPACN-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CC(N2CCCC2)C1
InChIInChI=1S/C14H19N3O/c18-14(15-12-6-2-1-3-7-12)17-10-13(11-17)16-8-4-5-9-16/h1-3,6-7,13H,4-5,8-11H2,(H,15,18)
InChIKeyGLYJXIPJDZNQRI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.00
Rot. Bonds2

About N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide

N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide (PubChem CID 23140407) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
PubChem CID23140407
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CC(N2CCCC2)C1
InChIInChI=1S/C14H19N3O/c18-14(15-12-6-2-1-3-7-12)17-10-13(11-17)16-8-4-5-9-16/h1-3,6-7,13H,4-5,8-11H2,(H,15,18)
InChIKeyGLYJXIPJDZNQRI-UHFFFAOYSA-N
XLogP2.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140121
N-(3-methylsulfanylphenyl)-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23139938
N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide
CID 23140153
3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 67082547
N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
CID 59764610
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55561482
N-cyclopropyl-1-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45220733
N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide
CID 122568655
N-pyridin-3-yl-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47050086
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide
CID 23140030

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide?
The IUPAC name of N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide (CID 23140407) is N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide.
What is the SMILES notation for N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide?
The canonical SMILES for N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide is O=C(Nc1ccccc1)N1CC(N2CCCC2)C1.
What is the InChIKey of N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide?
The InChIKey is GLYJXIPJDZNQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14(15-12-6-2-1-3-7-12)17-10-13(11-17)16-8-4-5-9-16/h1-3,6-7,13H,4-5,8-11H2,(H,15,18).
What are the key properties of N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide?
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide is sourced from PubChem (CID 23140407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).