N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine

C17H29N3S — CID 61334084

IUPACN-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC2CC2)(c2nc(CC)c(C)s2)CC1
InChIInChI=1S/C17H29N3S/c1-4-10-20-11-8-17(9-12-20,19-14-6-7-14)16-18-15(5-2)13(3)21-16/h14,19H,4-12H2,1-3H3
InChIKeyHMNBYBBSQQWIAT-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.47
Rot. Bonds6

About N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine

N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine (PubChem CID 61334084) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine
PubChem CID61334084
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC2CC2)(c2nc(CC)c(C)s2)CC1
InChIInChI=1S/C17H29N3S/c1-4-10-20-11-8-17(9-12-20,19-14-6-7-14)16-18-15(5-2)13(3)21-16/h14,19H,4-12H2,1-3H3
InChIKeyHMNBYBBSQQWIAT-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine?
The IUPAC name of N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine (CID 61334084) is N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine is CCCN1CCC(NC2CC2)(c2nc(CC)c(C)s2)CC1.
What is the InChIKey of N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine?
The InChIKey is HMNBYBBSQQWIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-4-10-20-11-8-17(9-12-20,19-14-6-7-14)16-18-15(5-2)13(3)21-16/h14,19H,4-12H2,1-3H3.
What are the key properties of N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine?
N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine has a molecular weight of 307.51 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 61334084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).