cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone

C21H26N2O2 — CID 56808713

IUPACcyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone
SMILESCOc1ccc(CNC2CCN(C(=O)C3CC3)CC2)c2ccccc12
InChIInChI=1S/C21H26N2O2/c1-25-20-9-8-16(18-4-2-3-5-19(18)20)14-22-17-10-12-23(13-11-17)21(24)15-6-7-15/h2-5,8-9,15,17,22H,6-7,10-14H2,1H3
InChIKeyUWAFWRCKMOYMNO-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.34
Rot. Bonds5

About cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone

cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone (PubChem CID 56808713) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone
PubChem CID56808713
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Namecyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone
SMILESCOc1ccc(CNC2CCN(C(=O)C3CC3)CC2)c2ccccc12
InChIInChI=1S/C21H26N2O2/c1-25-20-9-8-16(18-4-2-3-5-19(18)20)14-22-17-10-12-23(13-11-17)21(24)15-6-7-15/h2-5,8-9,15,17,22H,6-7,10-14H2,1H3
InChIKeyUWAFWRCKMOYMNO-UHFFFAOYSA-N
XLogP3.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 56808728
4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509661
cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone
CID 43747864
N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine
CID 78943425
cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434750
N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671454
cyclopropyl-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434771
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methoxynaphthalen-1-yl)methanone;hydrochloride
CID 119623313
cyclopropyl-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]methanone
CID 56808723
(2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95335410
(2R)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95335411
[(2S,4S)-2-benzyl-4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57065829

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone (CID 56808713) is cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone is COc1ccc(CNC2CCN(C(=O)C3CC3)CC2)c2ccccc12.
What is the InChIKey of cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone?
The InChIKey is UWAFWRCKMOYMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-20-9-8-16(18-4-2-3-5-19(18)20)14-22-17-10-12-23(13-11-17)21(24)15-6-7-15/h2-5,8-9,15,17,22H,6-7,10-14H2,1H3.
What are the key properties of cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone?
cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 56808713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).