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

C21H26N2O — CID 119545280

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
SMILESCNCC1CCN(C(=O)C2CC2c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H26N2O/c1-22-14-15-8-10-23(11-9-15)21(24)20-13-19(20)18-7-6-16-4-2-3-5-17(16)12-18/h2-7,12,15,19-20,22H,8-11,13-14H2,1H3
InChIKeyAHOFINCPYJHWPE-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.40
Rot. Bonds4

About [4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone

[4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone (PubChem CID 119545280) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
PubChem CID119545280
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
SMILESCNCC1CCN(C(=O)C2CC2c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H26N2O/c1-22-14-15-8-10-23(11-9-15)21(24)20-13-19(20)18-7-6-16-4-2-3-5-17(16)12-18/h2-7,12,15,19-20,22H,8-11,13-14H2,1H3
InChIKeyAHOFINCPYJHWPE-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
[3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119397312
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 119544756
[4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride
CID 119519297
[2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539791
[(1R,2R)-2-(3-bromophenyl)cyclopropyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124779684
1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride
CID 119542656
[(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
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119546157
1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone
CID 154834111
[2-(2-chloro-6-fluorophenyl)cyclopropyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546451

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone (CID 119545280) is [4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone is CNCC1CCN(C(=O)C2CC2c2ccc3ccccc3c2)CC1.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone?
The InChIKey is AHOFINCPYJHWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-22-14-15-8-10-23(11-9-15)21(24)20-13-19(20)18-7-6-16-4-2-3-5-17(16)12-18/h2-7,12,15,19-20,22H,8-11,13-14H2,1H3.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone?
[4-(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 [4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone is sourced from PubChem (CID 119545280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).