[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

C15H22N2OS — CID 81483119

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H22N2OS/c1-11-6-9-19-14(11)15(18)17-7-4-13(5-8-17)16-10-12-2-3-12/h6,9,12-13,16H,2-5,7-8,10H2,1H3
InChIKeyWLTPOZYRABKSSR-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.66
Rot. Bonds4

About [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 81483119) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID81483119
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H22N2OS/c1-11-6-9-19-14(11)15(18)17-7-4-13(5-8-17)16-10-12-2-3-12/h6,9,12-13,16H,2-5,7-8,10H2,1H3
InChIKeyWLTPOZYRABKSSR-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride
CID 119625339
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627
2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide
CID 119623007
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980342
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
[4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 18173956
tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate
CID 71634241
(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638228
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
1-(3-methylthiophene-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91954030
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 119624921

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 81483119) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is WLTPOZYRABKSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11-6-9-19-14(11)15(18)17-7-4-13(5-8-17)16-10-12-2-3-12/h6,9,12-13,16H,2-5,7-8,10H2,1H3.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 278.42 g/mol, XLogP of 2.66, 4 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-methylthiophen-2-yl)methanone is sourced from PubChem (CID 81483119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).