cyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone

C21H27N3O — CID 97097554

IUPACcyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone
SMILESCC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc2cccnc12
InChIInChI=1S/C21H27N3O/c1-2-15-14-24(21(25)17-8-9-17)12-10-19(15)23-13-18-6-3-5-16-7-4-11-22-20(16)18/h3-7,11,15,17,19,23H,2,8-10,12-14H2,1H3/t15-,19+/m0/s1
InChIKeySZXRRZOSMCKCEO-HNAYVOBHSA-N
MW337.47 g/mol
LogP3.36
Rot. Bonds5

About cyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone

cyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone (PubChem CID 97097554) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is cyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone
PubChem CID97097554
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Namecyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone
SMILESCC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc2cccnc12
InChIInChI=1S/C21H27N3O/c1-2-15-14-24(21(25)17-8-9-17)12-10-19(15)23-13-18-6-3-5-16-7-4-11-22-20(16)18/h3-7,11,15,17,19,23H,2,8-10,12-14H2,1H3/t15-,19+/m0/s1
InChIKeySZXRRZOSMCKCEO-HNAYVOBHSA-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

Analyze cyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

1-[(3R,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 97026989
cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone
CID 71927362
cyclopropyl-[(3R,4R)-3-ethyl-4-[(2-fluorophenyl)methylamino]piperidin-1-yl]methanone
CID 97097565
cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone
CID 97097541
cyclopropyl-[(3S,4S)-4-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-3-ethylpiperidin-1-yl]methanone
CID 97026978
[(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97097445
cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
CID 97097433
cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone
CID 97097278
cyclopropyl-[(3S,4R)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]methanone
CID 97026938
cyclopropyl-[(3R,4R)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]methanone
CID 97026937
4-N-ethyl-1-N-(quinolin-8-ylmethyl)piperidine-1,4-dicarboxamide
CID 166186194
[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97097593

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone (CID 97097554) is cyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone is CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc2cccnc12.
What is the InChIKey of cyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone?
The InChIKey is SZXRRZOSMCKCEO-HNAYVOBHSA-N. The full InChI is InChI=1S/C21H27N3O/c1-2-15-14-24(21(25)17-8-9-17)12-10-19(15)23-13-18-6-3-5-16-7-4-11-22-20(16)18/h3-7,11,15,17,19,23H,2,8-10,12-14H2,1H3/t15-,19+/m0/s1.
What are the key properties of cyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone?
cyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-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-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 97097554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).