(2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one

C18H23N3O — CID 119834679

IUPAC(2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C18H23N3O/c1-14(19)18(22)21-11-9-20(10-12-21)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,14H,9-13,19H2,1H3/t14-/m1/s1
InChIKeyCJQPVKXRSFLDKJ-CQSZACIVSA-N
MW297.40 g/mol
LogP1.83
Rot. Bonds3

About (2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one

(2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 119834679) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID119834679
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C18H23N3O/c1-14(19)18(22)21-11-9-20(10-12-21)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,14H,9-13,19H2,1H3/t14-/m1/s1
InChIKeyCJQPVKXRSFLDKJ-CQSZACIVSA-N
XLogP1.83
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.83
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
(2R)-2-amino-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 99718988
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone;oxalic acid
CID 17384961
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
N-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 55462491
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 67588371
N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 6468013
2-[methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]amino]propanoic acid
CID 119912970
2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 31444972
morpholin-4-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 31695814
1-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9397930

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one (CID 119834679) is (2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is CJQPVKXRSFLDKJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14(19)18(22)21-11-9-20(10-12-21)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,14H,9-13,19H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one has a molecular weight of 297.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119834679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).