N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide

C21H26N2O3 — CID 97115600

IUPACN-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(C(=O)[C@H]3CCCN(CCNC(C)=O)C3)ccc2c1
InChIInChI=1S/C21H26N2O3/c1-15(24)22-9-11-23-10-3-4-19(14-23)21(25)18-6-5-17-13-20(26-2)8-7-16(17)12-18/h5-8,12-13,19H,3-4,9-11,14H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyABSIREVAALADHI-IBGZPJMESA-N
MW354.45 g/mol
LogP2.88
Rot. Bonds6

About N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide

N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide (PubChem CID 97115600) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide
PubChem CID97115600
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(C(=O)[C@H]3CCCN(CCNC(C)=O)C3)ccc2c1
InChIInChI=1S/C21H26N2O3/c1-15(24)22-9-11-23-10-3-4-19(14-23)21(25)18-6-5-17-13-20(26-2)8-7-16(17)12-18/h5-8,12-13,19H,3-4,9-11,14H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyABSIREVAALADHI-IBGZPJMESA-N
XLogP2.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide
CID 95415351
N-cyclopropyl-2-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]acetamide
CID 56919001
[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 45228574
(6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 42453744
N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide
CID 45211600
1-(2-acetamidoethyl)piperidine-3-carboxylic acid
CID 43385924
4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide
CID 177314075
[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 30851904
[(3R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 26318364
methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate
CID 45242351
(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide (CID 97115600) is N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide is COc1ccc2cc(C(=O)[C@H]3CCCN(CCNC(C)=O)C3)ccc2c1.
What is the InChIKey of N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide?
The InChIKey is ABSIREVAALADHI-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(24)22-9-11-23-10-3-4-19(14-23)21(25)18-6-5-17-13-20(26-2)8-7-16(17)12-18/h5-8,12-13,19H,3-4,9-11,14H2,1-2H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide?
N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 97115600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).