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

C22H30N4O3S2 — CID 3236695

IUPACN-[2-(4-phenylpiperazin-1-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C22H30N4O3S2/c27-22(19-8-11-26(12-9-19)31(28,29)21-7-4-18-30-21)23-10-13-24-14-16-25(17-15-24)20-5-2-1-3-6-20/h1-7,18-19H,8-17H2,(H,23,27)
InChIKeyCVPKQOWTVPXJQN-UHFFFAOYSA-N
MW462.64 g/mol
LogP2.09
Rot. Bonds7

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

N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3236695) has the molecular formula C22H30N4O3S2 and a molecular weight of 462.64 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID3236695
Molecular FormulaC22H30N4O3S2
Molecular Weight462.64 g/mol
Exact Mass462.18
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C22H30N4O3S2/c27-22(19-8-11-26(12-9-19)31(28,29)21-7-4-18-30-21)23-10-13-24-14-16-25(17-15-24)20-5-2-1-3-6-20/h1-7,18-19H,8-17H2,(H,23,27)
InChIKeyCVPKQOWTVPXJQN-UHFFFAOYSA-N
XLogP2.09
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 3236695) is N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(NCCN1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is CVPKQOWTVPXJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S2/c27-22(19-8-11-26(12-9-19)31(28,29)21-7-4-18-30-21)23-10-13-24-14-16-25(17-15-24)20-5-2-1-3-6-20/h1-7,18-19H,8-17H2,(H,23,27).
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 462.64 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3236695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).