[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone

C22H26N2O — CID 873466

IUPAC[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCN(C[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C22H26N2O/c25-22(21-12-6-10-19-9-4-5-11-20(19)21)24-15-13-23(14-16-24)17-18-7-2-1-3-8-18/h1-2,4-6,9-12,18H,3,7-8,13-17H2/t18-/m1/s1
InChIKeyYRBYCXIINGBQSM-GOSISDBHSA-N
MW334.46 g/mol
LogP3.95
Rot. Bonds3

About [4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone

[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 873466) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is [4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID873466
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCN(C[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C22H26N2O/c25-22(21-12-6-10-19-9-4-5-11-20(19)21)24-15-13-23(14-16-24)17-18-7-2-1-3-8-18/h1-2,4-6,9-12,18H,3,7-8,13-17H2/t18-/m1/s1
InChIKeyYRBYCXIINGBQSM-GOSISDBHSA-N
XLogP3.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 1122466
[4-[[(1S)-cyclohex-3-en-1-yl]methyl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 97159509
[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone;oxalic acid
CID 17369214
[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;oxalic acid
CID 17385000
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
1-(benzenesulfonyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine;oxalic acid
CID 17366153
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 3145138
[4-(cyclopropylmethyl)piperazin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82829563

Frequently Asked Questions

What is the IUPAC name of [4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone (CID 873466) is [4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)N1CCN(C[C@@H]2CC=CCC2)CC1.
What is the InChIKey of [4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is YRBYCXIINGBQSM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N2O/c25-22(21-12-6-10-19-9-4-5-11-20(19)21)24-15-13-23(14-16-24)17-18-7-2-1-3-8-18/h1-2,4-6,9-12,18H,3,7-8,13-17H2/t18-/m1/s1.
What are the key properties of [4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone?
[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 334.46 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 873466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).