[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride

C16H25ClN2OS — CID 119625339

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride
SMILESCCc1ccsc1C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-2-13-7-10-20-15(13)16(19)18-8-5-14(6-9-18)17-11-12-3-4-12;/h7,10,12,14,17H,2-6,8-9,11H2,1H3;1H
InChIKeyGSZLMVFBCPCYDR-UHFFFAOYSA-N
MW328.91 g/mol
LogP3.34
Rot. Bonds5

About [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride

[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride (PubChem CID 119625339) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride
PubChem CID119625339
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride
SMILESCCc1ccsc1C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-2-13-7-10-20-15(13)16(19)18-8-5-14(6-9-18)17-11-12-3-4-12;/h7,10,12,14,17H,2-6,8-9,11H2,1H3;1H
InChIKeyGSZLMVFBCPCYDR-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81483119
2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide
CID 119623007
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride
CID 119622207
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
(3-ethylthiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263358
N-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 51092675
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 119624921
1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide
CID 79975013
[3-(bromomethyl)pyrrolidin-1-yl]-(3-ethylthiophen-2-yl)methanone
CID 80667681
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119621694

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride (CID 119625339) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride is CCc1ccsc1C(=O)N1CCC(NCC2CC2)CC1.Cl.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride?
The InChIKey is GSZLMVFBCPCYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-2-13-7-10-20-15(13)16(19)18-8-5-14(6-9-18)17-11-12-3-4-12;/h7,10,12,14,17H,2-6,8-9,11H2,1H3;1H.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 3.34, 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]-(3-ethylthiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119625339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).