N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide

C21H33N3O3 — CID 46995136

IUPACN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide
SMILESCC(C)c1ccccc1NC(=O)CCC(=O)NCCN1CCCCC1CO
InChIInChI=1S/C21H33N3O3/c1-16(2)18-8-3-4-9-19(18)23-21(27)11-10-20(26)22-12-14-24-13-6-5-7-17(24)15-25/h3-4,8-9,16-17,25H,5-7,10-15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyOBRGXLNVDJQTDO-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.49
Rot. Bonds9

About N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide

N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide (PubChem CID 46995136) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide.

Molecular Properties

Compound NameN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide
PubChem CID46995136
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide
SMILESCC(C)c1ccccc1NC(=O)CCC(=O)NCCN1CCCCC1CO
InChIInChI=1S/C21H33N3O3/c1-16(2)18-8-3-4-9-19(18)23-21(27)11-10-20(26)22-12-14-24-13-6-5-7-17(24)15-25/h3-4,8-9,16-17,25H,5-7,10-15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyOBRGXLNVDJQTDO-UHFFFAOYSA-N
XLogP2.49
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 18078477
2-[(2R)-2-methylpiperidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2655206
2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
CID 124749478
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110918990
N-(2-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 78917112
N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62014163
3-[2-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]phenyl]-N,N-dimethylpropanamide
CID 125168091
3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109031581
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 131917065
2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide
CID 110880917
(2R)-2-ethyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 51944426
3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 111476136

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide?
The IUPAC name of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide (CID 46995136) is N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide.
What is the SMILES notation for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide?
The canonical SMILES for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide is CC(C)c1ccccc1NC(=O)CCC(=O)NCCN1CCCCC1CO.
What is the InChIKey of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide?
The InChIKey is OBRGXLNVDJQTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-16(2)18-8-3-4-9-19(18)23-21(27)11-10-20(26)22-12-14-24-13-6-5-7-17(24)15-25/h3-4,8-9,16-17,25H,5-7,10-15H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide?
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide has a molecular weight of 375.51 g/mol, XLogP of 2.49, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide is sourced from PubChem (CID 46995136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).