(5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one

C26H33N3O4S — CID 39951634

IUPAC(5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCCCCN1C(=O)CC[C@H](C(=O)N2CCN(C(=O)c3cccs3)CC2)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C26H33N3O4S/c1-3-4-13-29-23(30)12-11-21(24(29)19-7-9-20(33-2)10-8-19)25(31)27-14-16-28(17-15-27)26(32)22-6-5-18-34-22/h5-10,18,21,24H,3-4,11-17H2,1-2H3/t21-,24-/m0/s1
InChIKeyIYSWYHKMKVUQRA-URXFXBBRSA-N
MW483.63 g/mol
LogP3.82
Rot. Bonds7

About (5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one

(5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 39951634) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is (5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID39951634
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name(5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCCCCN1C(=O)CC[C@H](C(=O)N2CCN(C(=O)c3cccs3)CC2)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C26H33N3O4S/c1-3-4-13-29-23(30)12-11-21(24(29)19-7-9-20(33-2)10-8-19)25(31)27-14-16-28(17-15-27)26(32)22-6-5-18-34-22/h5-10,18,21,24H,3-4,11-17H2,1-2H3/t21-,24-/m0/s1
InChIKeyIYSWYHKMKVUQRA-URXFXBBRSA-N
XLogP3.82
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one with MolForge

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Related Compounds

(4S,5S)-1-butyl-5-(4-methoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 39951642
(5S,6S)-1-butyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(4-methoxyphenyl)piperidin-2-one
CID 51931364
1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 55902291
(4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 30890050
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 51611568
N-(4-acetylphenyl)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42886695
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-butyl-5-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119409881
1-butyl-4-(1,4-diazepane-1-carbonyl)-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 119414839
(5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 110087742
1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one
CID 55567142
(2S,3S)-1-butyl-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 41183129
(2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 25440568

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of (5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one (CID 39951634) is (5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for (5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for (5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one is CCCCN1C(=O)CC[C@H](C(=O)N2CCN(C(=O)c3cccs3)CC2)[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of (5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is IYSWYHKMKVUQRA-URXFXBBRSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-3-4-13-29-23(30)12-11-21(24(29)19-7-9-20(33-2)10-8-19)25(31)27-14-16-28(17-15-27)26(32)22-6-5-18-34-22/h5-10,18,21,24H,3-4,11-17H2,1-2H3/t21-,24-/m0/s1.
What are the key properties of (5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one?
(5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 483.63 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-1-butyl-6-(4-methoxyphenyl)-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 39951634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).