cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone

C21H27N3O — CID 71927362

IUPACcyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone
SMILESCCC1CN(C(=O)C2CC2)CCC1NCc1ccc2ncccc2c1
InChIInChI=1S/C21H27N3O/c1-2-16-14-24(21(25)17-6-7-17)11-9-20(16)23-13-15-5-8-19-18(12-15)4-3-10-22-19/h3-5,8,10,12,16-17,20,23H,2,6-7,9,11,13-14H2,1H3
InChIKeyAVUZZXHJPKZDKF-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.36
Rot. Bonds5

About cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone

cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone (PubChem CID 71927362) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone
PubChem CID71927362
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Namecyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone
SMILESCCC1CN(C(=O)C2CC2)CCC1NCc1ccc2ncccc2c1
InChIInChI=1S/C21H27N3O/c1-2-16-14-24(21(25)17-6-7-17)11-9-20(16)23-13-15-5-8-19-18(12-15)4-3-10-22-19/h3-5,8,10,12,16-17,20,23H,2,6-7,9,11,13-14H2,1H3
InChIKeyAVUZZXHJPKZDKF-UHFFFAOYSA-N
XLogP3.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,4R)-3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 97026959
1-[(3S,4R)-3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 97026960
cyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone
CID 97097554
cyclopropyl-[(3S,4S)-3-ethyl-4-(pyridin-4-ylmethylamino)piperidin-1-yl]methanone
CID 97097572
1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 71927405
3-ethyl-N-methyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 114507998
cyclopropyl-[(3R,4R)-3-ethyl-4-[(2-fluorophenyl)methylamino]piperidin-1-yl]methanone
CID 97097565
4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide
CID 61042772
cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
CID 97097433
2-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
CID 43183350
cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone
CID 97097278
cyclopropyl-[(3R,4R)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]methanone
CID 97026937

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone (CID 71927362) is cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone is CCC1CN(C(=O)C2CC2)CCC1NCc1ccc2ncccc2c1.
What is the InChIKey of cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone?
The InChIKey is AVUZZXHJPKZDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-2-16-14-24(21(25)17-6-7-17)11-9-20(16)23-13-15-5-8-19-18(12-15)4-3-10-22-19/h3-5,8,10,12,16-17,20,23H,2,6-7,9,11,13-14H2,1H3.
What are the key properties of cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone?
cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone has a molecular weight of 337.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 71927362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).