1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one

C24H33N3O — CID 119834691

IUPAC1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
SMILESCC(CC(=O)N1CCN(Cc2cccc3ccccc23)CC1)C1CCNCC1
InChIInChI=1S/C24H33N3O/c1-19(20-9-11-25-12-10-20)17-24(28)27-15-13-26(14-16-27)18-22-7-4-6-21-5-2-3-8-23(21)22/h2-8,19-20,25H,9-18H2,1H3
InChIKeyKRKMTKZBAQUMMW-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.51
Rot. Bonds5

About 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one

1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one (PubChem CID 119834691) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
PubChem CID119834691
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
SMILESCC(CC(=O)N1CCN(Cc2cccc3ccccc23)CC1)C1CCNCC1
InChIInChI=1S/C24H33N3O/c1-19(20-9-11-25-12-10-20)17-24(28)27-15-13-26(14-16-27)18-22-7-4-6-21-5-2-3-8-23(21)22/h2-8,19-20,25H,9-18H2,1H3
InChIKeyKRKMTKZBAQUMMW-UHFFFAOYSA-N
XLogP3.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119834694
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119832674
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119832584
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119837429
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 67588371
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119720804
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119872755
1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119756701
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119869671
2-(cyclopropylmethylamino)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone
CID 119834681
1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057

Frequently Asked Questions

What is the IUPAC name of 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one?
The IUPAC name of 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one (CID 119834691) is 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one.
What is the SMILES notation for 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one?
The canonical SMILES for 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one is CC(CC(=O)N1CCN(Cc2cccc3ccccc23)CC1)C1CCNCC1.
What is the InChIKey of 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one?
The InChIKey is KRKMTKZBAQUMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-19(20-9-11-25-12-10-20)17-24(28)27-15-13-26(14-16-27)18-22-7-4-6-21-5-2-3-8-23(21)22/h2-8,19-20,25H,9-18H2,1H3.
What are the key properties of 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one?
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one has a molecular weight of 379.55 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one is sourced from PubChem (CID 119834691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).