N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide

C22H35N3O3 — CID 56759926

IUPACN-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(Cc3cccc(OC)c3)CC2)C1
InChIInChI=1S/C22H35N3O3/c1-27-14-10-23-22(26)19-6-4-11-25(17-19)20-8-12-24(13-9-20)16-18-5-3-7-21(15-18)28-2/h3,5,7,15,19-20H,4,6,8-14,16-17H2,1-2H3,(H,23,26)
InChIKeyRSBOTAUZEOTFHG-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.13
Rot. Bonds8

About N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide

N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56759926) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56759926
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC NameN-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(Cc3cccc(OC)c3)CC2)C1
InChIInChI=1S/C22H35N3O3/c1-27-14-10-23-22(26)19-6-4-11-25(17-19)20-8-12-24(13-9-20)16-18-5-3-7-21(15-18)28-2/h3,5,7,15,19-20H,4,6,8-14,16-17H2,1-2H3,(H,23,26)
InChIKeyRSBOTAUZEOTFHG-UHFFFAOYSA-N
XLogP2.13
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(2-methoxyethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95218435
(3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95402453
[(3S)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95558693
1-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56756459
(3R)-1-[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95202895
(3S)-1-[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95202896
(3R)-1-[1-[(2-ethylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95218762
1-[1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56865643
(3R)-1-[1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95502510
1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56758609
1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56744997
(3S)-1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95188586

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide (CID 56759926) is N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide is COCCNC(=O)C1CCCN(C2CCN(Cc3cccc(OC)c3)CC2)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is RSBOTAUZEOTFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-27-14-10-23-22(26)19-6-4-11-25(17-19)20-8-12-24(13-9-20)16-18-5-3-7-21(15-18)28-2/h3,5,7,15,19-20H,4,6,8-14,16-17H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56759926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).