2,2,2-trifluoro-N-[1-[6-(3-piperidin-1-ylpropoxy)naphthalene-2-carbonyl]pyrrolidin-3-yl]acetamide

C25H30F3N3O3 — CID 87680341

IUPAC2,2,2-trifluoro-N-[1-[6-(3-piperidin-1-ylpropoxy)naphthalene-2-carbonyl]pyrrolidin-3-yl]acetamide
SMILESO=C(c1ccc2cc(OCCCN3CCCCC3)ccc2c1)N1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C25H30F3N3O3/c26-25(27,28)24(33)29-21-9-13-31(17-21)23(32)20-6-5-19-16-22(8-7-18(19)15-20)34-14-4-12-30-10-2-1-3-11-30/h5-8,15-16,21H,1-4,9-14,17H2,(H,29,33)
InChIKeyGWQFDOZGQXCTDM-UHFFFAOYSA-N
MW477.53 g/mol
LogP3.99
Rot. Bonds7

About 2,2,2-trifluoro-N-[1-[6-(3-piperidin-1-ylpropoxy)naphthalene-2-carbonyl]pyrrolidin-3-yl]acetamide

2,2,2-trifluoro-N-[1-[6-(3-piperidin-1-ylpropoxy)naphthalene-2-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 87680341) has the molecular formula C25H30F3N3O3 and a molecular weight of 477.53 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-[6-(3-piperidin-1-ylpropoxy)naphthalene-2-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-[6-(3-piperidin-1-ylpropoxy)naphthalene-2-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID87680341
Molecular FormulaC25H30F3N3O3
Molecular Weight477.53 g/mol
Exact Mass477.22
IUPAC Name2,2,2-trifluoro-N-[1-[6-(3-piperidin-1-ylpropoxy)naphthalene-2-carbonyl]pyrrolidin-3-yl]acetamide
SMILESO=C(c1ccc2cc(OCCCN3CCCCC3)ccc2c1)N1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C25H30F3N3O3/c26-25(27,28)24(33)29-21-9-13-31(17-21)23(32)20-6-5-19-16-22(8-7-18(19)15-20)34-14-4-12-30-10-2-1-3-11-30/h5-8,15-16,21H,1-4,9-14,17H2,(H,29,33)
InChIKeyGWQFDOZGQXCTDM-UHFFFAOYSA-N
XLogP3.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
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-1-ylpropoxy)naphthalen-2-yl]methanone
CID 69068726
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070873
N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070712
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-(azepan-1-yl)methanone
CID 69067342
[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone
CID 69069513
[4-(3-piperidin-1-ylpropoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 59640597
(4-methylcyclohexyl)-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]methanone
CID 10072727
N-ethyl-6-(3-piperidin-1-ylpropoxy)-N-propan-2-ylnaphthalene-2-carboxamide
CID 69066079
4-[3-[3-(trifluoromethyl)piperidin-1-yl]propoxy]benzoic acid
CID 166176353
2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325961
1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-[4-(pyrrolidine-1-carbonyl)benzoyl]piperazin-2-one
CID 59840170

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-[6-(3-piperidin-1-ylpropoxy)naphthalene-2-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-[6-(3-piperidin-1-ylpropoxy)naphthalene-2-carbonyl]pyrrolidin-3-yl]acetamide (CID 87680341) is 2,2,2-trifluoro-N-[1-[6-(3-piperidin-1-ylpropoxy)naphthalene-2-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-[6-(3-piperidin-1-ylpropoxy)naphthalene-2-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-[6-(3-piperidin-1-ylpropoxy)naphthalene-2-carbonyl]pyrrolidin-3-yl]acetamide is O=C(c1ccc2cc(OCCCN3CCCCC3)ccc2c1)N1CCC(NC(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-[6-(3-piperidin-1-ylpropoxy)naphthalene-2-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is GWQFDOZGQXCTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O3/c26-25(27,28)24(33)29-21-9-13-31(17-21)23(32)20-6-5-19-16-22(8-7-18(19)15-20)34-14-4-12-30-10-2-1-3-11-30/h5-8,15-16,21H,1-4,9-14,17H2,(H,29,33).
What are the key properties of 2,2,2-trifluoro-N-[1-[6-(3-piperidin-1-ylpropoxy)naphthalene-2-carbonyl]pyrrolidin-3-yl]acetamide?
2,2,2-trifluoro-N-[1-[6-(3-piperidin-1-ylpropoxy)naphthalene-2-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 477.53 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-[6-(3-piperidin-1-ylpropoxy)naphthalene-2-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 87680341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).