[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone

C20H28N2O — CID 119624499

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
SMILESCc1ccccc1C1CC1C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C20H28N2O/c1-14-4-2-3-5-17(14)18-12-19(18)20(23)22-10-8-16(9-11-22)21-13-15-6-7-15/h2-5,15-16,18-19,21H,6-13H2,1H3
InChIKeyZUQXLOPWGUMOON-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.09
Rot. Bonds5

About [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone (PubChem CID 119624499) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
PubChem CID119624499
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
SMILESCc1ccccc1C1CC1C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C20H28N2O/c1-14-4-2-3-5-17(14)18-12-19(18)20(23)22-10-8-16(9-11-22)21-13-15-6-7-15/h2-5,15-16,18-19,21H,6-13H2,1H3
InChIKeyZUQXLOPWGUMOON-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone with MolForge

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119647354
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone;hydrochloride
CID 119621945
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide
CID 119137675
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone;hydrochloride
CID 119412430
[(3R)-1-[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 100857908
[2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 71930075
4-hydroxy-1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119251554
1,4-diazepan-1-yl-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119417577
3-[(3S)-1-[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]piperidin-3-yl]propanoic acid
CID 99851800
[2-(2-methylphenyl)cyclopropyl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71866030
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 84588684
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 119995078

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone (CID 119624499) is [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone is Cc1ccccc1C1CC1C(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone?
The InChIKey is ZUQXLOPWGUMOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-14-4-2-3-5-17(14)18-12-19(18)20(23)22-10-8-16(9-11-22)21-13-15-6-7-15/h2-5,15-16,18-19,21H,6-13H2,1H3.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone has a molecular weight of 312.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone is sourced from PubChem (CID 119624499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).