[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone

C20H23FN2OS — CID 119621700

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)s1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C20H23FN2OS/c21-16-5-3-15(4-6-16)18-7-8-19(25-18)20(24)23-11-9-17(10-12-23)22-13-14-1-2-14/h3-8,14,17,22H,1-2,9-13H2
InChIKeyNMYHPQSHJIVFAP-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.16
Rot. Bonds5

About [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone (PubChem CID 119621700) has the molecular formula C20H23FN2OS and a molecular weight of 358.48 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone
PubChem CID119621700
Molecular FormulaC20H23FN2OS
Molecular Weight358.48 g/mol
Exact Mass358.15
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)s1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C20H23FN2OS/c21-16-5-3-15(4-6-16)18-7-8-19(25-18)20(24)23-11-9-17(10-12-23)22-13-14-1-2-14/h3-8,14,17,22H,1-2,9-13H2
InChIKeyNMYHPQSHJIVFAP-UHFFFAOYSA-N
XLogP4.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone with MolForge

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492
[5-(4-fluorophenyl)thiophen-2-yl]-[(4S)-4-methylazepan-1-yl]methanone
CID 97023625
[5-(4-chlorophenyl)thiophen-2-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646358
(3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride
CID 119377231
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115307142
(2-bromo-4-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81486307
(2-bromo-5-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119625303
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 119622987
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103807435
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119621955
[3-(methylaminomethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119539267
[5-(3-chlorophenyl)-4-methylthiophen-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119621879

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone (CID 119621700) is [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone is O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone?
The InChIKey is NMYHPQSHJIVFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2OS/c21-16-5-3-15(4-6-16)18-7-8-19(25-18)20(24)23-11-9-17(10-12-23)22-13-14-1-2-14/h3-8,14,17,22H,1-2,9-13H2.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone has a molecular weight of 358.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone is sourced from PubChem (CID 119621700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).