N-propan-2-yl-4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide

C22H37N5O4S — CID 46884937

IUPACN-propan-2-yl-4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide
SMILESCCCS(=O)(=O)N1CCN(c2ccc(OCC3CCN(C(=O)NC(C)C)CC3)cn2)CC1
InChIInChI=1S/C22H37N5O4S/c1-4-15-32(29,30)27-13-11-25(12-14-27)21-6-5-20(16-23-21)31-17-19-7-9-26(10-8-19)22(28)24-18(2)3/h5-6,16,18-19H,4,7-15,17H2,1-3H3,(H,24,28)
InChIKeyAKGNFCPSDUTHKQ-UHFFFAOYSA-N
MW467.64 g/mol
LogP2.15
Rot. Bonds8

About N-propan-2-yl-4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide

N-propan-2-yl-4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide (PubChem CID 46884937) has the molecular formula C22H37N5O4S and a molecular weight of 467.64 g/mol. Its IUPAC name is N-propan-2-yl-4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide
PubChem CID46884937
Molecular FormulaC22H37N5O4S
Molecular Weight467.64 g/mol
Exact Mass467.26
IUPAC NameN-propan-2-yl-4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide
SMILESCCCS(=O)(=O)N1CCN(c2ccc(OCC3CCN(C(=O)NC(C)C)CC3)cn2)CC1
InChIInChI=1S/C22H37N5O4S/c1-4-15-32(29,30)27-13-11-25(12-14-27)21-6-5-20(16-23-21)31-17-19-7-9-26(10-8-19)22(28)24-18(2)3/h5-6,16,18-19H,4,7-15,17H2,1-3H3,(H,24,28)
InChIKeyAKGNFCPSDUTHKQ-UHFFFAOYSA-N
XLogP2.15
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide (CID 46884937) is N-propan-2-yl-4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide is CCCS(=O)(=O)N1CCN(c2ccc(OCC3CCN(C(=O)NC(C)C)CC3)cn2)CC1.
What is the InChIKey of N-propan-2-yl-4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide?
The InChIKey is AKGNFCPSDUTHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O4S/c1-4-15-32(29,30)27-13-11-25(12-14-27)21-6-5-20(16-23-21)31-17-19-7-9-26(10-8-19)22(28)24-18(2)3/h5-6,16,18-19H,4,7-15,17H2,1-3H3,(H,24,28).
What are the key properties of N-propan-2-yl-4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide?
N-propan-2-yl-4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide has a molecular weight of 467.64 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46884937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).