[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone

C14H21N3OS — CID 103807435

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCC(NCC3CC3)CC2)s1
InChIInChI=1S/C14H21N3OS/c1-10-15-9-13(19-10)14(18)17-6-4-12(5-7-17)16-8-11-2-3-11/h9,11-12,16H,2-8H2,1H3
InChIKeyMAIHLEHMLRUGCH-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.06
Rot. Bonds4

About [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 103807435) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
PubChem CID103807435
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCC(NCC3CC3)CC2)s1
InChIInChI=1S/C14H21N3OS/c1-10-15-9-13(19-10)14(18)17-6-4-12(5-7-17)16-8-11-2-3-11/h9,11-12,16H,2-8H2,1H3
InChIKeyMAIHLEHMLRUGCH-UHFFFAOYSA-N
XLogP2.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 119563984
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119621955
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119623467
(3-methylpyrrolidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 170767853
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 81483123
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 115307102
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 119625359
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 104956593
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81483119
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 70770204
(1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119621751
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone (CID 103807435) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone is Cc1ncc(C(=O)N2CCC(NCC3CC3)CC2)s1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is MAIHLEHMLRUGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10-15-9-13(19-10)14(18)17-6-4-12(5-7-17)16-8-11-2-3-11/h9,11-12,16H,2-8H2,1H3.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 279.41 g/mol, XLogP of 2.06, 4 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-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 103807435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).