(2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide

C24H27N3O4 — CID 42522707

IUPAC(2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
SMILESCOCc1ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)o1
InChIInChI=1S/C24H27N3O4/c1-29-17-22-12-11-21(31-22)16-27-14-3-2-6-23(27)24(28)26-18-7-9-19(10-8-18)30-20-5-4-13-25-15-20/h4-5,7-13,15,23H,2-3,6,14,16-17H2,1H3,(H,26,28)/t23-/m1/s1
InChIKeyAGTUXJXFXZXUFK-HSZRJFAPSA-N
MW421.50 g/mol
LogP4.61
Rot. Bonds8

About (2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide

(2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide (PubChem CID 42522707) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is (2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
PubChem CID42522707
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name(2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
SMILESCOCc1ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)o1
InChIInChI=1S/C24H27N3O4/c1-29-17-22-12-11-21(31-22)16-27-14-3-2-6-23(27)24(28)26-18-7-9-19(10-8-18)30-20-5-4-13-25-15-20/h4-5,7-13,15,23H,2-3,6,14,16-17H2,1H3,(H,26,28)/t23-/m1/s1
InChIKeyAGTUXJXFXZXUFK-HSZRJFAPSA-N
XLogP4.61
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[(E)-2-methylbut-2-enyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 42533238
1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 45208265
(2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 42216324
(2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 25287889
N-(4-pyridin-3-yloxyphenyl)cyclopentanecarboxamide
CID 154837757
(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 95308116
1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea
CID 124755518
(2S)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 95622313
1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
CID 42533025
1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
CID 45226535
(2S)-N-(6-phenoxy-3-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 42518595
1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 56704411

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide (CID 42522707) is (2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide is COCc1ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)o1.
What is the InChIKey of (2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The InChIKey is AGTUXJXFXZXUFK-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-29-17-22-12-11-21(31-22)16-27-14-3-2-6-23(27)24(28)26-18-7-9-19(10-8-18)30-20-5-4-13-25-15-20/h4-5,7-13,15,23H,2-3,6,14,16-17H2,1H3,(H,26,28)/t23-/m1/s1.
What are the key properties of (2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
(2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 42522707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).