[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone

C19H24N2O — CID 70229346

IUPAC[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCC(C)CN1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H24N2O/c1-15(2)14-20-10-12-21(13-11-20)19(22)18-9-5-7-16-6-3-4-8-17(16)18/h3-9,15H,10-14H2,1-2H3
InChIKeyFYDPFIHAQRSQMB-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.25
Rot. Bonds3

About [4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone

[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 70229346) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is [4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID70229346
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCC(C)CN1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H24N2O/c1-15(2)14-20-10-12-21(13-11-20)19(22)18-9-5-7-16-6-3-4-8-17(16)18/h3-9,15H,10-14H2,1-2H3
InChIKeyFYDPFIHAQRSQMB-UHFFFAOYSA-N
XLogP3.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dihydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114344301
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 108569250
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51278984
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
N-methyl-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 35251820
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 46584805
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one
CID 75418356
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062
3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one
CID 108536410
naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122414
N-(2-acetylphenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetamide
CID 35252913

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone (CID 70229346) is [4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone is CC(C)CN1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of [4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is FYDPFIHAQRSQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-15(2)14-20-10-12-21(13-11-20)19(22)18-9-5-7-16-6-3-4-8-17(16)18/h3-9,15H,10-14H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 296.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 70229346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).