N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide

C20H26N4O2S — CID 126784853

IUPACN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESO=C(NC(c1nccs1)C1CC1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C20H26N4O2S/c25-20(22-18(16-6-7-16)19-21-8-15-27-19)24-11-9-23(10-12-24)13-14-26-17-4-2-1-3-5-17/h1-5,8,15-16,18H,6-7,9-14H2,(H,22,25)
InChIKeyCMEDEZOQAZVBGX-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.00
Rot. Bonds7

About N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide

N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide (PubChem CID 126784853) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
PubChem CID126784853
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESO=C(NC(c1nccs1)C1CC1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C20H26N4O2S/c25-20(22-18(16-6-7-16)19-21-8-15-27-19)24-11-9-23(10-12-24)13-14-26-17-4-2-1-3-5-17/h1-5,8,15-16,18H,6-7,9-14H2,(H,22,25)
InChIKeyCMEDEZOQAZVBGX-UHFFFAOYSA-N
XLogP3.00
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 75375387
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95968029
4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
CID 124608403
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71922979
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97012993
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea
CID 71989949
N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 87000126
N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72862145
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111506905
N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423496
N-cyclopropyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 34188101

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide (CID 126784853) is N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide is O=C(NC(c1nccs1)C1CC1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The InChIKey is CMEDEZOQAZVBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c25-20(22-18(16-6-7-16)19-21-8-15-27-19)24-11-9-23(10-12-24)13-14-26-17-4-2-1-3-5-17/h1-5,8,15-16,18H,6-7,9-14H2,(H,22,25).
What are the key properties of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide?
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 126784853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).