6-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carbaldehyde

C20H24N2O2 — CID 163984755

IUPAC6-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carbaldehyde
SMILESCNC1CCN(C(=O)C(C)c2ccc3cc(C=O)ccc3c2)CC1
InChIInChI=1S/C20H24N2O2/c1-14(20(24)22-9-7-19(21-2)8-10-22)16-5-6-17-11-15(13-23)3-4-18(17)12-16/h3-6,11-14,19,21H,7-10H2,1-2H3
InChIKeyTVHAVNYQIDVHGH-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.97
Rot. Bonds4

About 6-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carbaldehyde

6-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carbaldehyde (PubChem CID 163984755) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 6-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carbaldehyde
PubChem CID163984755
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name6-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carbaldehyde
SMILESCNC1CCN(C(=O)C(C)c2ccc3cc(C=O)ccc3c2)CC1
InChIInChI=1S/C20H24N2O2/c1-14(20(24)22-9-7-19(21-2)8-10-22)16-5-6-17-11-15(13-23)3-4-18(17)12-16/h3-6,11-14,19,21H,7-10H2,1-2H3
InChIKeyTVHAVNYQIDVHGH-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119560528
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119645365
1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119373948
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one
CID 120819721
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119410402
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride
CID 120819720
2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119563255
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
N-methylmethanamine;naphthalene-2-carbaldehyde
CID 174771308
1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone
CID 119560633
N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide
CID 49352371
(2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18292919

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carbaldehyde?
The IUPAC name of 6-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carbaldehyde (CID 163984755) is 6-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carbaldehyde.
What is the SMILES notation for 6-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carbaldehyde?
The canonical SMILES for 6-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carbaldehyde is CNC1CCN(C(=O)C(C)c2ccc3cc(C=O)ccc3c2)CC1.
What is the InChIKey of 6-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carbaldehyde?
The InChIKey is TVHAVNYQIDVHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(20(24)22-9-7-19(21-2)8-10-22)16-5-6-17-11-15(13-23)3-4-18(17)12-16/h3-6,11-14,19,21H,7-10H2,1-2H3.
What are the key properties of 6-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carbaldehyde?
6-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carbaldehyde has a molecular weight of 324.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carbaldehyde is sourced from PubChem (CID 163984755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).