2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone

C18H27N3O — CID 122080822

IUPAC2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(N)C(=O)N2CCC(NCC3CC3)CC2)cc1
InChIInChI=1S/C18H27N3O/c1-13-2-6-15(7-3-13)17(19)18(22)21-10-8-16(9-11-21)20-12-14-4-5-14/h2-3,6-7,14,16-17,20H,4-5,8-12,19H2,1H3
InChIKeySICWTTDSZQTZGL-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.99
Rot. Bonds5

About 2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone

2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 122080822) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID122080822
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(N)C(=O)N2CCC(NCC3CC3)CC2)cc1
InChIInChI=1S/C18H27N3O/c1-13-2-6-15(7-3-13)17(19)18(22)21-10-8-16(9-11-21)20-12-14-4-5-14/h2-3,6-7,14,16-17,20H,4-5,8-12,19H2,1H3
InChIKeySICWTTDSZQTZGL-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 121230409
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106151455
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 121230377
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668182
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
2-amino-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 120668374
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312840
2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668435
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,5-dimethylphenyl)sulfanylethanone
CID 119624562
1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide
CID 120667354
1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 120667196
2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 120670145

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone (CID 122080822) is 2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(C(N)C(=O)N2CCC(NCC3CC3)CC2)cc1.
What is the InChIKey of 2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is SICWTTDSZQTZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-13-2-6-15(7-3-13)17(19)18(22)21-10-8-16(9-11-21)20-12-14-4-5-14/h2-3,6-7,14,16-17,20H,4-5,8-12,19H2,1H3.
What are the key properties of 2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 301.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 122080822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).