(2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide

C20H28N2O2 — CID 94801301

IUPAC(2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCc2ccccc2C1
InChIInChI=1S/C20H28N2O2/c1-14(2)20(24)22-12-6-5-9-18(22)19(23)21-17-11-10-15-7-3-4-8-16(15)13-17/h3-4,7-8,14,17-18H,5-6,9-13H2,1-2H3,(H,21,23)/t17-,18-/m0/s1
InChIKeyUNUIMXFIQFHILQ-ROUUACIJSA-N
MW328.46 g/mol
LogP2.70
Rot. Bonds3

About (2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide

(2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide (PubChem CID 94801301) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide
PubChem CID94801301
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCc2ccccc2C1
InChIInChI=1S/C20H28N2O2/c1-14(2)20(24)22-12-6-5-9-18(22)19(23)21-17-11-10-15-7-3-4-8-16(15)13-17/h3-4,7-8,14,17-18H,5-6,9-13H2,1-2H3,(H,21,23)/t17-,18-/m0/s1
InChIKeyUNUIMXFIQFHILQ-ROUUACIJSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide with MolForge

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Related Compounds

(2R)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119688067
(2R)-2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide;hydrochloride
CID 119270502
1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 115573941
(2S)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-propanoylpiperidine-2-carboxamide
CID 94800690
1-(4-methylbenzoyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-3-carboxamide
CID 55622704
N-(3,4-dihydro-2H-chromen-3-yl)-1-propanoylpiperidine-2-carboxamide
CID 51090959
propan-2-yl N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 116655524
2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid
CID 119350413
2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119688069
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 79202769
(2R)-N-[4-(azepan-1-yl)phenyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 94621419
tert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate
CID 55438903

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide (CID 94801301) is (2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide is CC(C)C(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCc2ccccc2C1.
What is the InChIKey of (2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide?
The InChIKey is UNUIMXFIQFHILQ-ROUUACIJSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14(2)20(24)22-12-6-5-9-18(22)19(23)21-17-11-10-15-7-3-4-8-16(15)13-17/h3-4,7-8,14,17-18H,5-6,9-13H2,1-2H3,(H,21,23)/t17-,18-/m0/s1.
What are the key properties of (2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide?
(2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylpropanoyl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 94801301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).