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

C20H33N3O2S — CID 42466315

IUPACN-[[(2S)-oxolan-2-yl]methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide
SMILESCC(C)c1csc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)n1
InChIInChI=1S/C20H33N3O2S/c1-15(2)18-14-26-20(22-18)13-23-9-7-16(8-10-23)5-6-19(24)21-12-17-4-3-11-25-17/h14-17H,3-13H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyCVTLMMDNYBVWLH-KRWDZBQOSA-N
MW379.57 g/mol
LogP3.55
Rot. Bonds8

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

N-[[(2S)-oxolan-2-yl]methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 42466315) has the molecular formula C20H33N3O2S and a molecular weight of 379.57 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide
PubChem CID42466315
Molecular FormulaC20H33N3O2S
Molecular Weight379.57 g/mol
Exact Mass379.23
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide
SMILESCC(C)c1csc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)n1
InChIInChI=1S/C20H33N3O2S/c1-15(2)18-14-26-20(22-18)13-23-9-7-16(8-10-23)5-6-19(24)21-12-17-4-3-11-25-17/h14-17H,3-13H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyCVTLMMDNYBVWLH-KRWDZBQOSA-N
XLogP3.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide (CID 42466315) is N-[[(2S)-oxolan-2-yl]methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide is CC(C)c1csc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)n1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide?
The InChIKey is CVTLMMDNYBVWLH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H33N3O2S/c1-15(2)18-14-26-20(22-18)13-23-9-7-16(8-10-23)5-6-19(24)21-12-17-4-3-11-25-17/h14-17H,3-13H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide?
N-[[(2S)-oxolan-2-yl]methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 379.57 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 42466315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).