(2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one

C24H31N3O3 — CID 18292919

IUPAC(2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc2cc([C@H](C)C(=O)N3CCN(C(=O)N4CCCCC4)CC3)ccc2c1
InChIInChI=1S/C24H31N3O3/c1-18(19-6-7-21-17-22(30-2)9-8-20(21)16-19)23(28)25-12-14-27(15-13-25)24(29)26-10-4-3-5-11-26/h6-9,16-18H,3-5,10-15H2,1-2H3/t18-/m0/s1
InChIKeyVAMCDHSIVZULID-SFHVURJKSA-N
MW409.53 g/mol
LogP3.70
Rot. Bonds3

About (2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one

(2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 18292919) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is (2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID18292919
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name(2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc2cc([C@H](C)C(=O)N3CCN(C(=O)N4CCCCC4)CC3)ccc2c1
InChIInChI=1S/C24H31N3O3/c1-18(19-6-7-21-17-22(30-2)9-8-20(21)16-19)23(28)25-12-14-27(15-13-25)24(29)26-10-4-3-5-11-26/h6-9,16-18H,3-5,10-15H2,1-2H3/t18-/m0/s1
InChIKeyVAMCDHSIVZULID-SFHVURJKSA-N
XLogP3.70
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 25383842
1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119373948
N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide
CID 49352371
1-(3-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119378452
(2S)-1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 55940554
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119410402
2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone
CID 55048012
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119645365
1-[4-[(2S)-2-(4-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 95616188
2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 110316903
(2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365455
1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 21431522

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one (CID 18292919) is (2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one is COc1ccc2cc([C@H](C)C(=O)N3CCN(C(=O)N4CCCCC4)CC3)ccc2c1.
What is the InChIKey of (2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is VAMCDHSIVZULID-SFHVURJKSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18(19-6-7-21-17-22(30-2)9-8-20(21)16-19)23(28)25-12-14-27(15-13-25)24(29)26-10-4-3-5-11-26/h6-9,16-18H,3-5,10-15H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one?
(2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 409.53 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 18292919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).