N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide

C26H33N3O3 — CID 55790751

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NCc3cccnc3OC3CCCC3)C2)c1
InChIInChI=1S/C26H33N3O3/c1-18-13-19(2)15-22(14-18)26(31)29-12-6-8-21(17-29)24(30)28-16-20-7-5-11-27-25(20)32-23-9-3-4-10-23/h5,7,11,13-15,21,23H,3-4,6,8-10,12,16-17H2,1-2H3,(H,28,30)
InChIKeyPGINFRSKXWHVMM-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.19
Rot. Bonds6

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (PubChem CID 55790751) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
PubChem CID55790751
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NCc3cccnc3OC3CCCC3)C2)c1
InChIInChI=1S/C26H33N3O3/c1-18-13-19(2)15-22(14-18)26(31)29-12-6-8-21(17-29)24(30)28-16-20-7-5-11-27-25(20)32-23-9-3-4-10-23/h5,7,11,13-15,21,23H,3-4,6,8-10,12,16-17H2,1-2H3,(H,28,30)
InChIKeyPGINFRSKXWHVMM-UHFFFAOYSA-N
XLogP4.19
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate
CID 51941848
N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55659721
(3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956462
1-(3,5-dimethylbenzoyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55788639
(3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 94082845
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94029737
1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 55794251
(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082808
trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51958593
(3R)-3-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 94028864
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (CID 55790751) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)NCc3cccnc3OC3CCCC3)C2)c1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The InChIKey is PGINFRSKXWHVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-18-13-19(2)15-22(14-18)26(31)29-12-6-8-21(17-29)24(30)28-16-20-7-5-11-27-25(20)32-23-9-3-4-10-23/h5,7,11,13-15,21,23H,3-4,6,8-10,12,16-17H2,1-2H3,(H,28,30).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55790751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).