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

C27H34N4O3 — CID 90013185

IUPACN-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
SMILESO=C(CC1CCCC1)N1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnc3)cc2)CC1
InChIInChI=1S/C27H34N4O3/c32-26(16-20-4-1-2-5-20)30-14-11-25(12-15-30)34-24-9-7-22(8-10-24)31(23-6-3-13-28-19-23)27(33)21-17-29-18-21/h3,6-10,13,19-21,25,29H,1-2,4-5,11-12,14-18H2
InChIKeyGMGIHGOJMQMPET-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.92
Rot. Bonds7

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

N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide (PubChem CID 90013185) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
PubChem CID90013185
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC NameN-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
SMILESO=C(CC1CCCC1)N1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnc3)cc2)CC1
InChIInChI=1S/C27H34N4O3/c32-26(16-20-4-1-2-5-20)30-14-11-25(12-15-30)34-24-9-7-22(8-10-24)31(23-6-3-13-28-19-23)27(33)21-17-29-18-21/h3,6-10,13,19-21,25,29H,1-2,4-5,11-12,14-18H2
InChIKeyGMGIHGOJMQMPET-UHFFFAOYSA-N
XLogP3.92
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013005
N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90012060
N-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90012873
N-[4-[1-(2-methylbutyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013162
N-[4-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]oxyphenyl]-N-[2-(trifluoromethyl)-3-pyridinyl]azetidine-3-carboxamide
CID 90013081
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,N-dipyridin-3-ylcyclobutanecarboxamide
CID 126532272
N-[4-[(3R)-1-(2-cyclohexylacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011037
N-[4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011040
N-[4-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxyphenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012619

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
The IUPAC name of N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide (CID 90013185) is N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
The canonical SMILES for N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide is O=C(CC1CCCC1)N1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnc3)cc2)CC1.
What is the InChIKey of N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
The InChIKey is GMGIHGOJMQMPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c32-26(16-20-4-1-2-5-20)30-14-11-25(12-15-30)34-24-9-7-22(8-10-24)31(23-6-3-13-28-19-23)27(33)21-17-29-18-21/h3,6-10,13,19-21,25,29H,1-2,4-5,11-12,14-18H2.
What are the key properties of N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 3.92, 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-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide is sourced from PubChem (CID 90013185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).