N-ethyl-2-[(2R)-1-[1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbonyl]piperidin-2-yl]acetamide

C19H30N4O2S — CID 164633627

IUPACN-ethyl-2-[(2R)-1-[1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbonyl]piperidin-2-yl]acetamide
SMILESCCNC(=O)C[C@H]1CCCCN1C(=O)C1CCN(c2nc(C)cs2)CC1
InChIInChI=1S/C19H30N4O2S/c1-3-20-17(24)12-16-6-4-5-9-23(16)18(25)15-7-10-22(11-8-15)19-21-14(2)13-26-19/h13,15-16H,3-12H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyZSDOYVUZZJBABT-MRXNPFEDSA-N
MW378.54 g/mol
LogP2.58
Rot. Bonds5

About N-ethyl-2-[(2R)-1-[1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbonyl]piperidin-2-yl]acetamide

N-ethyl-2-[(2R)-1-[1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbonyl]piperidin-2-yl]acetamide (PubChem CID 164633627) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-ethyl-2-[(2R)-1-[1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbonyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2R)-1-[1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbonyl]piperidin-2-yl]acetamide
PubChem CID164633627
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC NameN-ethyl-2-[(2R)-1-[1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbonyl]piperidin-2-yl]acetamide
SMILESCCNC(=O)C[C@H]1CCCCN1C(=O)C1CCN(c2nc(C)cs2)CC1
InChIInChI=1S/C19H30N4O2S/c1-3-20-17(24)12-16-6-4-5-9-23(16)18(25)15-7-10-22(11-8-15)19-21-14(2)13-26-19/h13,15-16H,3-12H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyZSDOYVUZZJBABT-MRXNPFEDSA-N
XLogP2.58
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2R)-1-[1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbonyl]piperidin-2-yl]acetamide?
The IUPAC name of N-ethyl-2-[(2R)-1-[1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbonyl]piperidin-2-yl]acetamide (CID 164633627) is N-ethyl-2-[(2R)-1-[1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbonyl]piperidin-2-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[(2R)-1-[1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbonyl]piperidin-2-yl]acetamide?
The canonical SMILES for N-ethyl-2-[(2R)-1-[1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbonyl]piperidin-2-yl]acetamide is CCNC(=O)C[C@H]1CCCCN1C(=O)C1CCN(c2nc(C)cs2)CC1.
What is the InChIKey of N-ethyl-2-[(2R)-1-[1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbonyl]piperidin-2-yl]acetamide?
The InChIKey is ZSDOYVUZZJBABT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-3-20-17(24)12-16-6-4-5-9-23(16)18(25)15-7-10-22(11-8-15)19-21-14(2)13-26-19/h13,15-16H,3-12H2,1-2H3,(H,20,24)/t16-/m1/s1.
What are the key properties of N-ethyl-2-[(2R)-1-[1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbonyl]piperidin-2-yl]acetamide?
N-ethyl-2-[(2R)-1-[1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbonyl]piperidin-2-yl]acetamide has a molecular weight of 378.54 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2R)-1-[1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbonyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 164633627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).