N-cyclopropyl-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide

C18H29N3OS — CID 26391652

IUPACN-cyclopropyl-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide
SMILESCC(C)c1csc(CN2CCC(CCC(=O)NC3CC3)CC2)n1
InChIInChI=1S/C18H29N3OS/c1-13(2)16-12-23-18(20-16)11-21-9-7-14(8-10-21)3-6-17(22)19-15-4-5-15/h12-15H,3-11H2,1-2H3,(H,19,22)
InChIKeyLCJBRYCFENLDQX-UHFFFAOYSA-N
MW335.52 g/mol
LogP3.54
Rot. Bonds7

About N-cyclopropyl-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide

N-cyclopropyl-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 26391652) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide
PubChem CID26391652
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC NameN-cyclopropyl-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide
SMILESCC(C)c1csc(CN2CCC(CCC(=O)NC3CC3)CC2)n1
InChIInChI=1S/C18H29N3OS/c1-13(2)16-12-23-18(20-16)11-21-9-7-14(8-10-21)3-6-17(22)19-15-4-5-15/h12-15H,3-11H2,1-2H3,(H,19,22)
InChIKeyLCJBRYCFENLDQX-UHFFFAOYSA-N
XLogP3.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide (CID 26391652) is N-cyclopropyl-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide is CC(C)c1csc(CN2CCC(CCC(=O)NC3CC3)CC2)n1.
What is the InChIKey of N-cyclopropyl-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide?
The InChIKey is LCJBRYCFENLDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-13(2)16-12-23-18(20-16)11-21-9-7-14(8-10-21)3-6-17(22)19-15-4-5-15/h12-15H,3-11H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopropyl-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 335.52 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 26391652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).