N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide

C20H33N5O3S — CID 55745815

IUPACN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1
InChIInChI=1S/C20H33N5O3S/c1-3-13-29(27,28)25-8-4-5-18(16-25)20(26)22-15-17-6-7-21-19(14-17)24-11-9-23(2)10-12-24/h6-7,14,18H,3-5,8-13,15-16H2,1-2H3,(H,22,26)
InChIKeyGZOQRSKCRKNSTG-UHFFFAOYSA-N
MW423.58 g/mol
LogP0.90
Rot. Bonds7

About N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide

N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 55745815) has the molecular formula C20H33N5O3S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID55745815
Molecular FormulaC20H33N5O3S
Molecular Weight423.58 g/mol
Exact Mass423.23
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1
InChIInChI=1S/C20H33N5O3S/c1-3-13-29(27,28)25-8-4-5-18(16-25)20(26)22-15-17-6-7-21-19(14-17)24-11-9-23(2)10-12-24/h6-7,14,18H,3-5,8-13,15-16H2,1-2H3,(H,22,26)
InChIKeyGZOQRSKCRKNSTG-UHFFFAOYSA-N
XLogP0.90
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55742798
1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4532780
1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 47047056
(3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide
CID 51943461
(3R)-1-ethylsulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 40515569
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4115045
3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride
CID 119901475
1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47001087
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
(2S)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 94889865
(3S)-1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94785162
(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 97311922

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 55745815) is N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is GZOQRSKCRKNSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3S/c1-3-13-29(27,28)25-8-4-5-18(16-25)20(26)22-15-17-6-7-21-19(14-17)24-11-9-23(2)10-12-24/h6-7,14,18H,3-5,8-13,15-16H2,1-2H3,(H,22,26).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55745815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).