4-methoxy-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide

C20H29N3O4 — CID 119751909

IUPAC4-methoxy-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2cccc(C(=O)NCC3CCCO3)c2)CCNCC1
InChIInChI=1S/C20H29N3O4/c1-26-20(7-9-21-10-8-20)19(25)23-13-15-4-2-5-16(12-15)18(24)22-14-17-6-3-11-27-17/h2,4-5,12,17,21H,3,6-11,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeySJZZUNFJMVWYNH-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.98
Rot. Bonds7

About 4-methoxy-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide

4-methoxy-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 119751909) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-methoxy-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID119751909
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name4-methoxy-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2cccc(C(=O)NCC3CCCO3)c2)CCNCC1
InChIInChI=1S/C20H29N3O4/c1-26-20(7-9-21-10-8-20)19(25)23-13-15-4-2-5-16(12-15)18(24)22-14-17-6-3-11-27-17/h2,4-5,12,17,21H,3,6-11,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeySJZZUNFJMVWYNH-UHFFFAOYSA-N
XLogP0.98
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119305142
3-[[(4-amino-3-methoxybutanoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 120590388
3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119305123
3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751881
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119751896
3-[[(N'-methylcarbamimidoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 110918492
4-methoxy-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119678226
3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751901
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94816644
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 94816645
3-[[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 110973665
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide (CID 119751909) is 4-methoxy-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide is COC1(C(=O)NCc2cccc(C(=O)NCC3CCCO3)c2)CCNCC1.
What is the InChIKey of 4-methoxy-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is SJZZUNFJMVWYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-26-20(7-9-21-10-8-20)19(25)23-13-15-4-2-5-16(12-15)18(24)22-14-17-6-3-11-27-17/h2,4-5,12,17,21H,3,6-11,13-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-methoxy-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
4-methoxy-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119751909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).