N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide

C26H34N4O3 — CID 90012060

IUPACN-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
SMILESCCC(C)(C)C(=O)N1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnc3)cc2)CC1
InChIInChI=1S/C26H34N4O3/c1-4-26(2,3)25(32)29-14-11-23(12-15-29)33-22-9-7-20(8-10-22)30(21-6-5-13-27-18-21)24(31)19-16-28-17-19/h5-10,13,18-19,23,28H,4,11-12,14-17H2,1-3H3
InChIKeyBBNQRNPKDBPZEL-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.77
Rot. Bonds7

About N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide

N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide (PubChem CID 90012060) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
PubChem CID90012060
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
SMILESCCC(C)(C)C(=O)N1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnc3)cc2)CC1
InChIInChI=1S/C26H34N4O3/c1-4-26(2,3)25(32)29-14-11-23(12-15-29)33-22-9-7-20(8-10-22)30(21-6-5-13-27-18-21)24(31)19-16-28-17-19/h5-10,13,18-19,23,28H,4,11-12,14-17H2,1-3H3
InChIKeyBBNQRNPKDBPZEL-UHFFFAOYSA-N
XLogP3.77
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90012873
N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013005
N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013185
N-[4-[1-(2-methylbutyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013162
N-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013059
N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide
CID 90012798
N-[4-[1-(4-fluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012334
N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-N-pyridazin-4-ylazetidine-3-carboxamide
CID 90013125
N-[4-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]oxyphenyl]-N-[2-(trifluoromethyl)-3-pyridinyl]azetidine-3-carboxamide
CID 90013081
(3S)-N-[4-[1-(2-methylcyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 90013026
N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012619
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
The IUPAC name of N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide (CID 90012060) is N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
The canonical SMILES for N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide is CCC(C)(C)C(=O)N1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnc3)cc2)CC1.
What is the InChIKey of N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
The InChIKey is BBNQRNPKDBPZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-4-26(2,3)25(32)29-14-11-23(12-15-29)33-22-9-7-20(8-10-22)30(21-6-5-13-27-18-21)24(31)19-16-28-17-19/h5-10,13,18-19,23,28H,4,11-12,14-17H2,1-3H3.
What are the key properties of N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide is sourced from PubChem (CID 90012060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).