[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone

C25H35N3O2 — CID 69068726

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3c2)C1
InChIInChI=1S/C25H35N3O2/c1-26(2)23-11-15-28(19-23)25(29)22-8-7-21-18-24(10-9-20(21)17-22)30-16-6-14-27-12-4-3-5-13-27/h7-10,17-18,23H,3-6,11-16,19H2,1-2H3
InChIKeyAZWPRJAARJEWHW-UHFFFAOYSA-N
MW409.57 g/mol
LogP3.87
Rot. Bonds7

About [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone

[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone (PubChem CID 69068726) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
PubChem CID69068726
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3c2)C1
InChIInChI=1S/C25H35N3O2/c1-26(2)23-11-15-28(19-23)25(29)22-8-7-21-18-24(10-9-20(21)17-22)30-16-6-14-27-12-4-3-5-13-27/h7-10,17-18,23H,3-6,11-16,19H2,1-2H3
InChIKeyAZWPRJAARJEWHW-UHFFFAOYSA-N
XLogP3.87
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone
CID 69490968
2,2,2-trifluoro-N-[1-[6-(3-piperidin-1-ylpropoxy)naphthalene-2-carbonyl]pyrrolidin-3-yl]acetamide
CID 87680341
N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070712
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070873
N-ethyl-6-(3-piperidin-1-ylpropoxy)-N-propan-2-ylnaphthalene-2-carboxamide
CID 69066079
[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone
CID 69069513
(4-methylcyclohexyl)-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]methanone
CID 10072727
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-(azepan-1-yl)methanone
CID 69067342
[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10320792
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
[4-(3-piperidin-1-ylpropoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 59640597

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone (CID 69068726) is [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone is CN(C)C1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3c2)C1.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone?
The InChIKey is AZWPRJAARJEWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-26(2)23-11-15-28(19-23)25(29)22-8-7-21-18-24(10-9-20(21)17-22)30-16-6-14-27-12-4-3-5-13-27/h7-10,17-18,23H,3-6,11-16,19H2,1-2H3.
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone has a molecular weight of 409.57 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone is sourced from PubChem (CID 69068726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).