N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide

C22H27N3O2S — CID 86842848

IUPACN-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2ccsc2)CC1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C22H27N3O2S/c26-20(24-22(10-4-11-22)18-5-2-1-3-6-18)15-25-12-7-19(8-13-25)23-21(27)17-9-14-28-16-17/h1-3,5-6,9,14,16,19H,4,7-8,10-13,15H2,(H,23,27)(H,24,26)
InChIKeyRKXMUZBLBGUPIW-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.14
Rot. Bonds6

About N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide

N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 86842848) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID86842848
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC NameN-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2ccsc2)CC1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C22H27N3O2S/c26-20(24-22(10-4-11-22)18-5-2-1-3-6-18)15-25-12-7-19(8-13-25)23-21(27)17-9-14-28-16-17/h1-3,5-6,9,14,16,19H,4,7-8,10-13,15H2,(H,23,27)(H,24,26)
InChIKeyRKXMUZBLBGUPIW-UHFFFAOYSA-N
XLogP3.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid
CID 119907979
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 77002400
N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 110931733
N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550268
N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550206
N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368
(2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid
CID 119914227
N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 111439582
N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 111106047
N-[1-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 34797779
2-(cyclopropylmethylamino)-N-(1-phenylcyclobutyl)acetamide;hydrochloride
CID 119697176
ethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate
CID 113216947

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide (CID 86842848) is N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide is O=C(CN1CCC(NC(=O)c2ccsc2)CC1)NC1(c2ccccc2)CCC1.
What is the InChIKey of N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is RKXMUZBLBGUPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c26-20(24-22(10-4-11-22)18-5-2-1-3-6-18)15-25-12-7-19(8-13-25)23-21(27)17-9-14-28-16-17/h1-3,5-6,9,14,16,19H,4,7-8,10-13,15H2,(H,23,27)(H,24,26).
What are the key properties of N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide?
N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 397.54 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 86842848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).