(3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C23H32N4O3S2 — CID 51726909

IUPAC(3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCN1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H32N4O3S2/c1-25-14-15-26(21(18-25)19-7-3-2-4-8-19)13-11-24-23(28)20-9-5-12-27(17-20)32(29,30)22-10-6-16-31-22/h2-4,6-8,10,16,20-21H,5,9,11-15,17-18H2,1H3,(H,24,28)/t20-,21+/m1/s1
InChIKeyINRCNXQHAVBQKT-RTWAWAEBSA-N
MW476.67 g/mol
LogP2.25
Rot. Bonds7

About (3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

(3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 51726909) has the molecular formula C23H32N4O3S2 and a molecular weight of 476.67 g/mol. Its IUPAC name is (3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID51726909
Molecular FormulaC23H32N4O3S2
Molecular Weight476.67 g/mol
Exact Mass476.19
IUPAC Name(3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCN1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H32N4O3S2/c1-25-14-15-26(21(18-25)19-7-3-2-4-8-19)13-11-24-23(28)20-9-5-12-27(17-20)32(29,30)22-10-6-16-31-22/h2-4,6-8,10,16,20-21H,5,9,11-15,17-18H2,1H3,(H,24,28)/t20-,21+/m1/s1
InChIKeyINRCNXQHAVBQKT-RTWAWAEBSA-N
XLogP2.25
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.67
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95875459
N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 33403212
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
N-[3-(4-methylpiperazin-1-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43905757
(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019515
N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55451031
(3S)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 38017869
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43917011
(3R)-N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7410118
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-(2-naphthalen-1-ylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46442413
(3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94111152

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 51726909) is (3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CN1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)[C@H](c2ccccc2)C1.
What is the InChIKey of (3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is INRCNXQHAVBQKT-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H32N4O3S2/c1-25-14-15-26(21(18-25)19-7-3-2-4-8-19)13-11-24-23(28)20-9-5-12-27(17-20)32(29,30)22-10-6-16-31-22/h2-4,6-8,10,16,20-21H,5,9,11-15,17-18H2,1H3,(H,24,28)/t20-,21+/m1/s1.
What are the key properties of (3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 476.67 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 51726909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).