(2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide

C17H20N3O2+ — CID 8516516

IUPAC(2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCNC(=O)C1
InChIInChI=1S/C17H19N3O2/c1-12(20-9-8-18-16(21)11-20)17(22)19-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12H,8-9,11H2,1H3,(H,18,21)(H,19,22)/p+1/t12-/m0/s1
InChIKeySMSPCUNILFUQCF-LBPRGKRZSA-O
MW298.37 g/mol
LogP0.18
Rot. Bonds3

About (2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide

(2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide (PubChem CID 8516516) has the molecular formula C17H20N3O2+ and a molecular weight of 298.37 g/mol. Its IUPAC name is (2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide
PubChem CID8516516
Molecular FormulaC17H20N3O2+
Molecular Weight298.37 g/mol
Exact Mass298.16
IUPAC Name(2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCNC(=O)C1
InChIInChI=1S/C17H19N3O2/c1-12(20-9-8-18-16(21)11-20)17(22)19-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12H,8-9,11H2,1H3,(H,18,21)(H,19,22)/p+1/t12-/m0/s1
InChIKeySMSPCUNILFUQCF-LBPRGKRZSA-O
XLogP0.18
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-oxopiperazin-1-ium-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 2467491
(2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide
CID 2474003
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082
(2R)-2-(4-fluorophenoxy)-N-naphthalen-2-ylpropanamide
CID 887383
2,3,3-trifluoro-N-naphthalen-2-ylpropanamide
CID 175396381
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
CID 4637022
2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride
CID 18408186
(2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide
CID 7999786
(2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide
CID 9042971

Frequently Asked Questions

What is the IUPAC name of (2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide?
The IUPAC name of (2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide (CID 8516516) is (2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide?
The canonical SMILES for (2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide is C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCNC(=O)C1.
What is the InChIKey of (2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide?
The InChIKey is SMSPCUNILFUQCF-LBPRGKRZSA-O. The full InChI is InChI=1S/C17H19N3O2/c1-12(20-9-8-18-16(21)11-20)17(22)19-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12H,8-9,11H2,1H3,(H,18,21)(H,19,22)/p+1/t12-/m0/s1.
What are the key properties of (2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide?
(2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide has a molecular weight of 298.37 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide is sourced from PubChem (CID 8516516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).