N-cyclopropyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

C18H28N4OS — CID 56866421

IUPACN-cyclopropyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(C2CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C18H28N4OS/c23-18(20-15-3-4-15)14-2-1-8-22(12-14)16-5-9-21(10-6-16)13-17-19-7-11-24-17/h7,11,14-16H,1-6,8-10,12-13H2,(H,20,23)
InChIKeyQREFTJBGPCMBEH-UHFFFAOYSA-N
MW348.52 g/mol
LogP2.10
Rot. Bonds5

About N-cyclopropyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

N-cyclopropyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56866421) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56866421
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC NameN-cyclopropyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(C2CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C18H28N4OS/c23-18(20-15-3-4-15)14-2-1-8-22(12-14)16-5-9-21(10-6-16)13-17-19-7-11-24-17/h7,11,14-16H,1-6,8-10,12-13H2,(H,20,23)
InChIKeyQREFTJBGPCMBEH-UHFFFAOYSA-N
XLogP2.10
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 56866421) is N-cyclopropyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CC1)C1CCCN(C2CCN(Cc3nccs3)CC2)C1.
What is the InChIKey of N-cyclopropyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is QREFTJBGPCMBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c23-18(20-15-3-4-15)14-2-1-8-22(12-14)16-5-9-21(10-6-16)13-17-19-7-11-24-17/h7,11,14-16H,1-6,8-10,12-13H2,(H,20,23).
What are the key properties of N-cyclopropyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 348.52 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56866421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).