1-morpholin-4-ylsulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

C22H35N5O4S — CID 3236582

IUPAC1-morpholin-4-ylsulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H35N5O4S/c28-22(20-6-9-26(10-7-20)32(29,30)27-16-18-31-19-17-27)23-8-11-24-12-14-25(15-13-24)21-4-2-1-3-5-21/h1-5,20H,6-19H2,(H,23,28)
InChIKeyXULWTCWUKDOLES-UHFFFAOYSA-N
MW465.62 g/mol
LogP0.21
Rot. Bonds7

About 1-morpholin-4-ylsulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

1-morpholin-4-ylsulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 3236582) has the molecular formula C22H35N5O4S and a molecular weight of 465.62 g/mol. Its IUPAC name is 1-morpholin-4-ylsulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-morpholin-4-ylsulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID3236582
Molecular FormulaC22H35N5O4S
Molecular Weight465.62 g/mol
Exact Mass465.24
IUPAC Name1-morpholin-4-ylsulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H35N5O4S/c28-22(20-6-9-26(10-7-20)32(29,30)27-16-18-31-19-17-27)23-8-11-24-12-14-25(15-13-24)21-4-2-1-3-5-21/h1-5,20H,6-19H2,(H,23,28)
InChIKeyXULWTCWUKDOLES-UHFFFAOYSA-N
XLogP0.21
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylsulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-morpholin-4-ylsulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide (CID 3236582) is 1-morpholin-4-ylsulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-morpholin-4-ylsulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-morpholin-4-ylsulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide is O=C(NCCN1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 1-morpholin-4-ylsulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is XULWTCWUKDOLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O4S/c28-22(20-6-9-26(10-7-20)32(29,30)27-16-18-31-19-17-27)23-8-11-24-12-14-25(15-13-24)21-4-2-1-3-5-21/h1-5,20H,6-19H2,(H,23,28).
What are the key properties of 1-morpholin-4-ylsulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
1-morpholin-4-ylsulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylsulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 3236582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).