N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide

C20H26N4O3S — CID 55916766

IUPACN-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCCOc1ccc2nc(NC(=O)CN3CCC(C(=O)NC4CC4)CC3)sc2c1
InChIInChI=1S/C20H26N4O3S/c1-2-27-15-5-6-16-17(11-15)28-20(22-16)23-18(25)12-24-9-7-13(8-10-24)19(26)21-14-3-4-14/h5-6,11,13-14H,2-4,7-10,12H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyCYVWULRPNPJYCH-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.62
Rot. Bonds7

About N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide

N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 55916766) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID55916766
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCCOc1ccc2nc(NC(=O)CN3CCC(C(=O)NC4CC4)CC3)sc2c1
InChIInChI=1S/C20H26N4O3S/c1-2-27-15-5-6-16-17(11-15)28-20(22-16)23-18(25)12-24-9-7-13(8-10-24)19(26)21-14-3-4-14/h5-6,11,13-14H,2-4,7-10,12H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyCYVWULRPNPJYCH-UHFFFAOYSA-N
XLogP2.62
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 167869533
2-(4-benzylpiperazin-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 17066517
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 171995182
3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 60842453
2-(2,2-dimethylmorpholin-4-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 37403117
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 24674567
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125009204
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 6489647
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014465
1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 46698174
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 43049380

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide (CID 55916766) is N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide is CCOc1ccc2nc(NC(=O)CN3CCC(C(=O)NC4CC4)CC3)sc2c1.
What is the InChIKey of N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is CYVWULRPNPJYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-2-27-15-5-6-16-17(11-15)28-20(22-16)23-18(25)12-24-9-7-13(8-10-24)19(26)21-14-3-4-14/h5-6,11,13-14H,2-4,7-10,12H2,1H3,(H,21,26)(H,22,23,25).
What are the key properties of N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55916766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).