4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide

C19H27N3O4 — CID 122556803

IUPAC4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide
SMILESCOc1ccc(OCC2CCN(C(=O)NC3CCCNC3=O)CC2)cc1
InChIInChI=1S/C19H27N3O4/c1-25-15-4-6-16(7-5-15)26-13-14-8-11-22(12-9-14)19(24)21-17-3-2-10-20-18(17)23/h4-7,14,17H,2-3,8-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyOHIGNNAQLACCNW-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.77
Rot. Bonds5

About 4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide

4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide (PubChem CID 122556803) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide
PubChem CID122556803
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide
SMILESCOc1ccc(OCC2CCN(C(=O)NC3CCCNC3=O)CC2)cc1
InChIInChI=1S/C19H27N3O4/c1-25-15-4-6-16(7-5-15)26-13-14-8-11-22(12-9-14)19(24)21-17-3-2-10-20-18(17)23/h4-7,14,17H,2-3,8-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyOHIGNNAQLACCNW-UHFFFAOYSA-N
XLogP1.77
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide
CID 11912207
(2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682216
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 98132744
[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 92596332
(2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 163097256
3-[1-(4-methoxyphenyl)ethylamino]piperidin-2-one
CID 62092478
(2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682218
2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide
CID 94801293
4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide
CID 51099333
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 73139083
(2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11912362

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide (CID 122556803) is 4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide is COc1ccc(OCC2CCN(C(=O)NC3CCCNC3=O)CC2)cc1.
What is the InChIKey of 4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide?
The InChIKey is OHIGNNAQLACCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-25-15-4-6-16(7-5-15)26-13-14-8-11-22(12-9-14)19(24)21-17-3-2-10-20-18(17)23/h4-7,14,17H,2-3,8-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide?
4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 122556803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).