(3S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-propanoylpiperidine-3-carboxamide

C20H28N2O2 — CID 95777256

IUPAC(3S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@H](C(=O)N[C@]2(C)CCc3ccccc3C2)C1
InChIInChI=1S/C20H28N2O2/c1-3-18(23)22-12-6-9-17(14-22)19(24)21-20(2)11-10-15-7-4-5-8-16(15)13-20/h4-5,7-8,17H,3,6,9-14H2,1-2H3,(H,21,24)/t17-,20+/m0/s1
InChIKeyVOCFUFNEEWQWTF-FXAWDEMLSA-N
MW328.46 g/mol
LogP2.70
Rot. Bonds3

About (3S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-propanoylpiperidine-3-carboxamide

(3S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 95777256) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (3S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-propanoylpiperidine-3-carboxamide
PubChem CID95777256
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(3S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@H](C(=O)N[C@]2(C)CCc3ccccc3C2)C1
InChIInChI=1S/C20H28N2O2/c1-3-18(23)22-12-6-9-17(14-22)19(24)21-20(2)11-10-15-7-4-5-8-16(15)13-20/h4-5,7-8,17H,3,6,9-14H2,1-2H3,(H,21,24)/t17-,20+/m0/s1
InChIKeyVOCFUFNEEWQWTF-FXAWDEMLSA-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

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Related Compounds

(3R)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 95777255
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
ethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate
CID 71934706
N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60529718
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide
CID 52523476
N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527195
N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255391
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 56508448

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-propanoylpiperidine-3-carboxamide (CID 95777256) is (3S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCC[C@H](C(=O)N[C@]2(C)CCc3ccccc3C2)C1.
What is the InChIKey of (3S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is VOCFUFNEEWQWTF-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-18(23)22-12-6-9-17(14-22)19(24)21-20(2)11-10-15-7-4-5-8-16(15)13-20/h4-5,7-8,17H,3,6,9-14H2,1-2H3,(H,21,24)/t17-,20+/m0/s1.
What are the key properties of (3S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-propanoylpiperidine-3-carboxamide?
(3S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-propanoylpiperidine-3-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 (3S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 95777256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).