N-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide

C18H28N4O3S — CID 131960395

IUPACN-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)NCCN2CCCOCC2)CC1)c1ccsc1
InChIInChI=1S/C18H28N4O3S/c23-17(15-4-13-26-14-15)20-16-2-7-22(8-3-16)18(24)19-5-9-21-6-1-11-25-12-10-21/h4,13-14,16H,1-3,5-12H2,(H,19,24)(H,20,23)
InChIKeyRJYFIZAERKRMBJ-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.37
Rot. Bonds5

About N-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide

N-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide (PubChem CID 131960395) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
PubChem CID131960395
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC NameN-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)NCCN2CCCOCC2)CC1)c1ccsc1
InChIInChI=1S/C18H28N4O3S/c23-17(15-4-13-26-14-15)20-16-2-7-22(8-3-16)18(24)19-5-9-21-6-1-11-25-12-10-21/h4,13-14,16H,1-3,5-12H2,(H,19,24)(H,20,23)
InChIKeyRJYFIZAERKRMBJ-UHFFFAOYSA-N
XLogP1.37
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide
CID 71977244
1-Cyclohexyl-3-(2-(4-(thiophene-3-carbonyl)piperazin-1-yl)ethyl)urea
CID 49676912
N'-propyl-N-tetrahydro-2H-pyran-4-yl-N-[1-(3-thienylcarbonyl)-4-piperidyl]urea
CID 91916270
[(5aS,9aS)-1-methyl-2,3,5,5a,6,7,9,9a-octahydropyrido[3,4-e][1,4]oxazepin-8-yl]-thiophen-3-ylmethanone
CID 110196084
N-{2-[(Dimethylcarbamoyl)(oxan-4-YL)amino]ethyl}thiophene-3-carboxamide
CID 132340146
N-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47549420
4-(thiophene-3-carbonylamino)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperidine-1-carboxamide
CID 56158435
N-[(1S,2R)-2-fluorocyclopentyl]-4-(thiophene-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 137994258
N-[(1S,2R)-2-fluorocyclopentyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
CID 137994259
N-[1-(2-Methoxyethyl)piperidin-4-YL]thiophene-3-carboxamide
CID 47549497
N-(tert-butyl)-4-(2-(thiophene-3-carboxamido)ethyl)piperazine-1-carboxamide
CID 49677023
N-cyclohexyl-4-(thiophene-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 53535333

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide?
The IUPAC name of N-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide (CID 131960395) is N-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide is O=C(NC1CCN(C(=O)NCCN2CCCOCC2)CC1)c1ccsc1.
What is the InChIKey of N-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide?
The InChIKey is RJYFIZAERKRMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c23-17(15-4-13-26-14-15)20-16-2-7-22(8-3-16)18(24)19-5-9-21-6-1-11-25-12-10-21/h4,13-14,16H,1-3,5-12H2,(H,19,24)(H,20,23).
What are the key properties of N-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide?
N-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 131960395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).