N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C18H30N4OS — CID 45223802

IUPACN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)NC1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C18H30N4OS/c1-14-17(24-13-19-14)5-6-18(23)20-15-4-3-9-22(12-15)16-7-10-21(2)11-8-16/h13,15-16H,3-12H2,1-2H3,(H,20,23)
InChIKeyFHQRUOCLQJSMFI-UHFFFAOYSA-N
MW350.53 g/mol
LogP2.06
Rot. Bonds5

About N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 45223802) has the molecular formula C18H30N4OS and a molecular weight of 350.53 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID45223802
Molecular FormulaC18H30N4OS
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC NameN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)NC1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C18H30N4OS/c1-14-17(24-13-19-14)5-6-18(23)20-15-4-3-9-22(12-15)16-7-10-21(2)11-8-16/h13,15-16H,3-12H2,1-2H3,(H,20,23)
InChIKeyFHQRUOCLQJSMFI-UHFFFAOYSA-N
XLogP2.06
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 45223802) is N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is Cc1ncsc1CCC(=O)NC1CCCN(C2CCN(C)CC2)C1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is FHQRUOCLQJSMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS/c1-14-17(24-13-19-14)5-6-18(23)20-15-4-3-9-22(12-15)16-7-10-21(2)11-8-16/h13,15-16H,3-12H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 350.53 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 45223802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).