3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide

C22H33N3O3 — CID 97271131

IUPAC3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCC2CCN(C(=O)CN3CCC[C@@H](O)C3)CC2)c1
InChIInChI=1S/C22H33N3O3/c1-17-4-2-5-19(14-17)23-21(27)8-7-18-9-12-25(13-10-18)22(28)16-24-11-3-6-20(26)15-24/h2,4-5,14,18,20,26H,3,6-13,15-16H2,1H3,(H,23,27)/t20-/m1/s1
InChIKeyVVENBUXVNULUAU-HXUWFJFHSA-N
MW387.52 g/mol
LogP2.41
Rot. Bonds6

About 3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide

3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide (PubChem CID 97271131) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
PubChem CID97271131
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCC2CCN(C(=O)CN3CCC[C@@H](O)C3)CC2)c1
InChIInChI=1S/C22H33N3O3/c1-17-4-2-5-19(14-17)23-21(27)8-7-18-9-12-25(13-10-18)22(28)16-24-11-3-6-20(26)15-24/h2,4-5,14,18,20,26H,3,6-13,15-16H2,1H3,(H,23,27)/t20-/m1/s1
InChIKeyVVENBUXVNULUAU-HXUWFJFHSA-N
XLogP2.41
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide
CID 25289024
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 34905400
N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 739962
2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride
CID 119915581
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride
CID 24747038
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63848456
4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide
CID 62546343
3-(3-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912607
N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide
CID 25288635
3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
CID 42519111
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide (CID 97271131) is 3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCC2CCN(C(=O)CN3CCC[C@@H](O)C3)CC2)c1.
What is the InChIKey of 3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is VVENBUXVNULUAU-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-17-4-2-5-19(14-17)23-21(27)8-7-18-9-12-25(13-10-18)22(28)16-24-11-3-6-20(26)15-24/h2,4-5,14,18,20,26H,3,6-13,15-16H2,1H3,(H,23,27)/t20-/m1/s1.
What are the key properties of 3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide?
3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 387.52 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 97271131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).