2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone

C18H26N2O — CID 119786969

IUPAC2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone
SMILESCC1(c2ccccc2)CCCN(C(=O)CNCC2CC2)C1
InChIInChI=1S/C18H26N2O/c1-18(16-6-3-2-4-7-16)10-5-11-20(14-18)17(21)13-19-12-15-8-9-15/h2-4,6-7,15,19H,5,8-14H2,1H3
InChIKeyLLVCTMXAYFTWCI-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.57
Rot. Bonds5

About 2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone

2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone (PubChem CID 119786969) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone
PubChem CID119786969
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone
SMILESCC1(c2ccccc2)CCCN(C(=O)CNCC2CC2)C1
InChIInChI=1S/C18H26N2O/c1-18(16-6-3-2-4-7-16)10-5-11-20(14-18)17(21)13-19-12-15-8-9-15/h2-4,6-7,15,19H,5,8-14H2,1H3
InChIKeyLLVCTMXAYFTWCI-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 97141328
4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride
CID 120592389
2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone
CID 65280938
2-(cyclopropylmethylamino)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811839
(3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
CID 96540537
7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one
CID 119786941
2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119786972
2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120989835
5-methyl-1-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 72875718
1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione
CID 72871274
1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123918
(3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119325537

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone (CID 119786969) is 2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone is CC1(c2ccccc2)CCCN(C(=O)CNCC2CC2)C1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone?
The InChIKey is LLVCTMXAYFTWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(16-6-3-2-4-7-16)10-5-11-20(14-18)17(21)13-19-12-15-8-9-15/h2-4,6-7,15,19H,5,8-14H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone?
2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone has a molecular weight of 286.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone is sourced from PubChem (CID 119786969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).