(3S)-3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one

C22H29N5O — CID 59693759

IUPAC(3S)-3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one
SMILESCN1CCN(CCc2ccc3ccccc3c2)C(=O)[C@@H]1CCNC1=NCCN1
InChIInChI=1S/C22H29N5O/c1-26-14-15-27(21(28)20(26)8-10-23-22-24-11-12-25-22)13-9-17-6-7-18-4-2-3-5-19(18)16-17/h2-7,16,20H,8-15H2,1H3,(H2,23,24,25)/t20-/m0/s1
InChIKeyZTOSVIGHQBCKCX-FQEVSTJZSA-N
MW379.51 g/mol
LogP1.46
Rot. Bonds6

About (3S)-3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one

(3S)-3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one (PubChem CID 59693759) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is (3S)-3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one
PubChem CID59693759
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name(3S)-3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one
SMILESCN1CCN(CCc2ccc3ccccc3c2)C(=O)[C@@H]1CCNC1=NCCN1
InChIInChI=1S/C22H29N5O/c1-26-14-15-27(21(28)20(26)8-10-23-22-24-11-12-25-22)13-9-17-6-7-18-4-2-3-5-19(18)16-17/h2-7,16,20H,8-15H2,1H3,(H2,23,24,25)/t20-/m0/s1
InChIKeyZTOSVIGHQBCKCX-FQEVSTJZSA-N
XLogP1.46
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one?
The IUPAC name of (3S)-3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one (CID 59693759) is (3S)-3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one?
The canonical SMILES for (3S)-3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one is CN1CCN(CCc2ccc3ccccc3c2)C(=O)[C@@H]1CCNC1=NCCN1.
What is the InChIKey of (3S)-3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one?
The InChIKey is ZTOSVIGHQBCKCX-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29N5O/c1-26-14-15-27(21(28)20(26)8-10-23-22-24-11-12-25-22)13-9-17-6-7-18-4-2-3-5-19(18)16-17/h2-7,16,20H,8-15H2,1H3,(H2,23,24,25)/t20-/m0/s1.
What are the key properties of (3S)-3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one?
(3S)-3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one has a molecular weight of 379.51 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4-methyl-1-(2-naphthalen-2-ylethyl)piperazin-2-one is sourced from PubChem (CID 59693759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).