[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

C23H25N3OS — CID 119621650

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccs2)nc2ccccc12)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C23H25N3OS/c27-23(26-11-9-17(10-12-26)24-15-16-7-8-16)19-14-21(22-6-3-13-28-22)25-20-5-2-1-4-18(19)20/h1-6,13-14,16-17,24H,7-12,15H2
InChIKeyMFUHZLAONNBITA-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.57
Rot. Bonds5

About [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone (PubChem CID 119621650) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
PubChem CID119621650
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccs2)nc2ccccc12)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C23H25N3OS/c27-23(26-11-9-17(10-12-26)24-15-16-7-8-16)19-14-21(22-6-3-13-28-22)25-20-5-2-1-4-18(19)20/h1-6,13-14,16-17,24H,7-12,15H2
InChIKeyMFUHZLAONNBITA-UHFFFAOYSA-N
XLogP4.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119559767
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119559766
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119538448
cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 56510738
ethyl 4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazine-1-carboxylate
CID 35508684
N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55501818
(4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone
CID 42750188
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 4584269
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 42470155
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 25397691
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55532752
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 7807522

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone (CID 119621650) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone is O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The InChIKey is MFUHZLAONNBITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c27-23(26-11-9-17(10-12-26)24-15-16-7-8-16)19-14-21(22-6-3-13-28-22)25-20-5-2-1-4-18(19)20/h1-6,13-14,16-17,24H,7-12,15H2.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone has a molecular weight of 391.54 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 119621650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).