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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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).