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

C22H28N2O — CID 121479075

IUPAC[1-(cyclopropylmethyl)piperidin-3-yl]-[6-(dimethylamino)naphthalen-2-yl]methanone
SMILESCN(C)c1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2c1
InChIInChI=1S/C22H28N2O/c1-23(2)21-10-9-17-12-19(8-7-18(17)13-21)22(25)20-4-3-11-24(15-20)14-16-5-6-16/h7-10,12-13,16,20H,3-6,11,14-15H2,1-2H3
InChIKeyKOKJJDWCYUINNM-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.21
Rot. Bonds5

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

[1-(cyclopropylmethyl)piperidin-3-yl]-[6-(dimethylamino)naphthalen-2-yl]methanone (PubChem CID 121479075) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)piperidin-3-yl]-[6-(dimethylamino)naphthalen-2-yl]methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)piperidin-3-yl]-[6-(dimethylamino)naphthalen-2-yl]methanone
PubChem CID121479075
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name[1-(cyclopropylmethyl)piperidin-3-yl]-[6-(dimethylamino)naphthalen-2-yl]methanone
SMILESCN(C)c1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2c1
InChIInChI=1S/C22H28N2O/c1-23(2)21-10-9-17-12-19(8-7-18(17)13-21)22(25)20-4-3-11-24(15-20)14-16-5-6-16/h7-10,12-13,16,20H,3-6,11,14-15H2,1-2H3
InChIKeyKOKJJDWCYUINNM-UHFFFAOYSA-N
XLogP4.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)piperidin-3-yl]-[6-(dimethylamino)naphthalen-2-yl]methanone?
The IUPAC name of [1-(cyclopropylmethyl)piperidin-3-yl]-[6-(dimethylamino)naphthalen-2-yl]methanone (CID 121479075) is [1-(cyclopropylmethyl)piperidin-3-yl]-[6-(dimethylamino)naphthalen-2-yl]methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)piperidin-3-yl]-[6-(dimethylamino)naphthalen-2-yl]methanone?
The canonical SMILES for [1-(cyclopropylmethyl)piperidin-3-yl]-[6-(dimethylamino)naphthalen-2-yl]methanone is CN(C)c1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2c1.
What is the InChIKey of [1-(cyclopropylmethyl)piperidin-3-yl]-[6-(dimethylamino)naphthalen-2-yl]methanone?
The InChIKey is KOKJJDWCYUINNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-23(2)21-10-9-17-12-19(8-7-18(17)13-21)22(25)20-4-3-11-24(15-20)14-16-5-6-16/h7-10,12-13,16,20H,3-6,11,14-15H2,1-2H3.
What are the key properties of [1-(cyclopropylmethyl)piperidin-3-yl]-[6-(dimethylamino)naphthalen-2-yl]methanone?
[1-(cyclopropylmethyl)piperidin-3-yl]-[6-(dimethylamino)naphthalen-2-yl]methanone has a molecular weight of 336.48 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)piperidin-3-yl]-[6-(dimethylamino)naphthalen-2-yl]methanone is sourced from PubChem (CID 121479075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).