[3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone

C21H26N2O — CID 119397312

IUPAC[3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
SMILESCNCC1CCCN(C(=O)C2CC2c2ccc3ccccc3c2)C1
InChIInChI=1S/C21H26N2O/c1-22-13-15-5-4-10-23(14-15)21(24)20-12-19(20)18-9-8-16-6-2-3-7-17(16)11-18/h2-3,6-9,11,15,19-20,22H,4-5,10,12-14H2,1H3
InChIKeyDSRLGNSJLLCKQI-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.40
Rot. Bonds4

About [3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone

[3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone (PubChem CID 119397312) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is [3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
PubChem CID119397312
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name[3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
SMILESCNCC1CCCN(C(=O)C2CC2c2ccc3ccccc3c2)C1
InChIInChI=1S/C21H26N2O/c1-22-13-15-5-4-10-23(14-15)21(24)20-12-19(20)18-9-8-16-6-2-3-7-17(16)11-18/h2-3,6-9,11,15,19-20,22H,4-5,10,12-14H2,1H3
InChIKeyDSRLGNSJLLCKQI-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride
CID 119540877
[4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119545280
[2-(3,5-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395248
[(1R,2R)-2-(3-bromophenyl)cyclopropyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124779684
[2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539791
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125134576
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124779499
(4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone
CID 167953061
[2-(2,6-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539938
[(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 124858444
[3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 119397296
[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 102978507

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone?
The IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone (CID 119397312) is [3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone.
What is the SMILES notation for [3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone?
The canonical SMILES for [3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone is CNCC1CCCN(C(=O)C2CC2c2ccc3ccccc3c2)C1.
What is the InChIKey of [3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone?
The InChIKey is DSRLGNSJLLCKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-22-13-15-5-4-10-23(14-15)21(24)20-12-19(20)18-9-8-16-6-2-3-7-17(16)11-18/h2-3,6-9,11,15,19-20,22H,4-5,10,12-14H2,1H3.
What are the key properties of [3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone?
[3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone has a molecular weight of 322.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone is sourced from PubChem (CID 119397312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).