2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one

C20H25N3O2 — CID 75418356

IUPAC2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C20H25N3O2/c1-2-6-18(21)20(25)23-13-11-22(12-14-23)19(24)17-10-5-8-15-7-3-4-9-16(15)17/h3-5,7-10,18H,2,6,11-14,21H2,1H3
InChIKeyWWVDKLOKJKUOBS-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.25
Rot. Bonds4

About 2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one

2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one (PubChem CID 75418356) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one
PubChem CID75418356
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C20H25N3O2/c1-2-6-18(21)20(25)23-13-11-22(12-14-23)19(24)17-10-5-8-15-7-3-4-9-16(15)17/h3-5,7-10,18H,2,6,11-14,21H2,1H3
InChIKeyWWVDKLOKJKUOBS-UHFFFAOYSA-N
XLogP2.25
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090
2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one
CID 119281994
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346
2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119316335
(4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 108569232
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pentan-1-one
CID 119307835
2-amino-1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119316419
[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
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
2-amino-1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 119302778

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one (CID 75418356) is 2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one is CCCC(N)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of 2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one?
The InChIKey is WWVDKLOKJKUOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-6-18(21)20(25)23-13-11-22(12-14-23)19(24)17-10-5-8-15-7-3-4-9-16(15)17/h3-5,7-10,18H,2,6,11-14,21H2,1H3.
What are the key properties of 2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one?
2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one has a molecular weight of 339.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 75418356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).