1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one

C21H28N2O — CID 71927405

IUPAC1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NCc2ccc3ccccc3c2)C(CC)C1
InChIInChI=1S/C21H28N2O/c1-3-17-15-23(21(24)4-2)12-11-20(17)22-14-16-9-10-18-7-5-6-8-19(18)13-16/h5-10,13,17,20,22H,3-4,11-12,14-15H2,1-2H3
InChIKeyMYISRYVKJWFWIP-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.97
Rot. Bonds5

About 1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one

1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one (PubChem CID 71927405) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one
PubChem CID71927405
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NCc2ccc3ccccc3c2)C(CC)C1
InChIInChI=1S/C21H28N2O/c1-3-17-15-23(21(24)4-2)12-11-20(17)22-14-16-9-10-18-7-5-6-8-19(18)13-16/h5-10,13,17,20,22H,3-4,11-12,14-15H2,1-2H3
InChIKeyMYISRYVKJWFWIP-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S,4S)-4-[(4-chloro-3-fluorophenyl)methylamino]-3-ethylpiperidin-1-yl]propan-1-one
CID 97097376
cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone
CID 71927362
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]propan-1-one
CID 56715170
1-[(3S,4R)-3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 97026960
1-[(3R,4R)-3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 97026959
1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone
CID 96996485
1-[(3R,4R)-4-[(4-bromophenyl)methylamino]-3-methylpiperidin-1-yl]propan-1-one
CID 97025004
cyclopropyl-[(3R,4S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-ethylpiperidin-1-yl]methanone
CID 97097463
1-[(3S,4S)-3-ethyl-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 97097336
1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one
CID 71871926
1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one
CID 98772851
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 79873716

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one (CID 71927405) is 1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(NCc2ccc3ccccc3c2)C(CC)C1.
What is the InChIKey of 1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is MYISRYVKJWFWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-3-17-15-23(21(24)4-2)12-11-20(17)22-14-16-9-10-18-7-5-6-8-19(18)13-16/h5-10,13,17,20,22H,3-4,11-12,14-15H2,1-2H3.
What are the key properties of 1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one?
1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 324.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71927405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).