(3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide

C21H27N3O3 — CID 8544301

IUPAC(3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCOc1ccc2cc(CN(C)C(=O)CN3CCC[C@@H](C(N)=O)C3)ccc2c1
InChIInChI=1S/C21H27N3O3/c1-23(20(25)14-24-9-3-4-18(13-24)21(22)26)12-15-5-6-17-11-19(27-2)8-7-16(17)10-15/h5-8,10-11,18H,3-4,9,12-14H2,1-2H3,(H2,22,26)/t18-/m1/s1
InChIKeyKQBALYISJKLSDH-GOSISDBHSA-N
MW369.47 g/mol
LogP2.00
Rot. Bonds6

About (3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide

(3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 8544301) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID8544301
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCOc1ccc2cc(CN(C)C(=O)CN3CCC[C@@H](C(N)=O)C3)ccc2c1
InChIInChI=1S/C21H27N3O3/c1-23(20(25)14-24-9-3-4-18(13-24)21(22)26)12-15-5-6-17-11-19(27-2)8-7-16(17)10-15/h5-8,10-11,18H,3-4,9,12-14H2,1-2H3,(H2,22,26)/t18-/m1/s1
InChIKeyKQBALYISJKLSDH-GOSISDBHSA-N
XLogP2.00
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119920048
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-(4-methylpiperidin-1-yl)acetamide
CID 8557880
ethyl 1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8772894
1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907657
N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 55815935
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 26042498
2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidin-2-yl]acetamide
CID 97261053
2-[1-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]pyrrolidin-3-yl]acetamide
CID 131963538
2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 30653889
1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904141
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595306
2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60598165

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide (CID 8544301) is (3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide is COc1ccc2cc(CN(C)C(=O)CN3CCC[C@@H](C(N)=O)C3)ccc2c1.
What is the InChIKey of (3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is KQBALYISJKLSDH-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-23(20(25)14-24-9-3-4-18(13-24)21(22)26)12-15-5-6-17-11-19(27-2)8-7-16(17)10-15/h5-8,10-11,18H,3-4,9,12-14H2,1-2H3,(H2,22,26)/t18-/m1/s1.
What are the key properties of (3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide?
(3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 8544301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).