1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one

C19H23N3O3 — CID 4740302

IUPAC1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one
SMILESNCC(=O)N1CCN(C(=O)CCOc2cccc3ccccc23)CC1
InChIInChI=1S/C19H23N3O3/c20-14-19(24)22-11-9-21(10-12-22)18(23)8-13-25-17-7-3-5-15-4-1-2-6-16(15)17/h1-7H,8-14,20H2
InChIKeyFUXRDLNFUILKLR-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.24
Rot. Bonds5

About 1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one

1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one (PubChem CID 4740302) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one.

Molecular Properties

Compound Name1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one
PubChem CID4740302
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one
SMILESNCC(=O)N1CCN(C(=O)CCOc2cccc3ccccc23)CC1
InChIInChI=1S/C19H23N3O3/c20-14-19(24)22-11-9-21(10-12-22)18(23)8-13-25-17-7-3-5-15-4-1-2-6-16(15)17/h1-7H,8-14,20H2
InChIKeyFUXRDLNFUILKLR-UHFFFAOYSA-N
XLogP1.24
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one
CID 4739811
3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 4740257
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 119487122
1-(3-aminopiperidin-1-yl)-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 119381622
3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 60601108
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-4-naphthalen-1-yloxybutan-1-one
CID 55918821
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 119648193
bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 55713085
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one
CID 112823833
4-[4-(4-naphthalen-1-yloxybutanoyl)-1,4-diazepan-1-yl]benzonitrile
CID 55716214

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one?
The IUPAC name of 1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one (CID 4740302) is 1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one.
What is the SMILES notation for 1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one?
The canonical SMILES for 1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one is NCC(=O)N1CCN(C(=O)CCOc2cccc3ccccc23)CC1.
What is the InChIKey of 1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one?
The InChIKey is FUXRDLNFUILKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c20-14-19(24)22-11-9-21(10-12-22)18(23)8-13-25-17-7-3-5-15-4-1-2-6-16(15)17/h1-7H,8-14,20H2.
What are the key properties of 1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one?
1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one has a molecular weight of 341.41 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one is sourced from PubChem (CID 4740302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).