2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C21H32N2O2 — CID 138016937

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(C)c1ccc2c(c1)[C@@H](NC(=O)CN1CCC(CO)CC1)CCC2
InChIInChI=1S/C21H32N2O2/c1-15(2)18-7-6-17-4-3-5-20(19(17)12-18)22-21(25)13-23-10-8-16(14-24)9-11-23/h6-7,12,15-16,20,24H,3-5,8-11,13-14H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyGPIQGBILHIREAI-FQEVSTJZSA-N
MW344.50 g/mol
LogP3.01
Rot. Bonds5

About 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 138016937) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID138016937
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(C)c1ccc2c(c1)[C@@H](NC(=O)CN1CCC(CO)CC1)CCC2
InChIInChI=1S/C21H32N2O2/c1-15(2)18-7-6-17-4-3-5-20(19(17)12-18)22-21(25)13-23-10-8-16(14-24)9-11-23/h6-7,12,15-16,20,24H,3-5,8-11,13-14H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyGPIQGBILHIREAI-FQEVSTJZSA-N
XLogP3.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]acetamide
CID 75434892
N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-pyridin-3-ylacetamide
CID 126768985
2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 120993751
N-[7-(1-aminoethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide
CID 82176214
4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid
CID 122008277
4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid
CID 122008259
(2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 120640719
2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 167915265
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 94025031
4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122032353
2-(1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119905959
N-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide
CID 82176212

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 138016937) is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CC(C)c1ccc2c(c1)[C@@H](NC(=O)CN1CCC(CO)CC1)CCC2.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is GPIQGBILHIREAI-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-15(2)18-7-6-17-4-3-5-20(19(17)12-18)22-21(25)13-23-10-8-16(14-24)9-11-23/h6-7,12,15-16,20,24H,3-5,8-11,13-14H2,1-2H3,(H,22,25)/t20-/m0/s1.
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 344.50 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 138016937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).