(3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide

C17H27N5O2 — CID 94180412

IUPAC(3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
SMILESC[C@H]1COCCN1C(=O)NCc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C17H27N5O2/c1-14-13-24-10-9-22(14)17(23)19-12-15-3-4-16(18-11-15)21-7-5-20(2)6-8-21/h3-4,11,14H,5-10,12-13H2,1-2H3,(H,19,23)/t14-/m0/s1
InChIKeyDNJUXDBMRSNJDT-AWEZNQCLSA-N
MW333.44 g/mol
LogP0.76
Rot. Bonds3

About (3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide

(3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide (PubChem CID 94180412) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
PubChem CID94180412
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
SMILESC[C@H]1COCCN1C(=O)NCc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C17H27N5O2/c1-14-13-24-10-9-22(14)17(23)19-12-15-3-4-16(18-11-15)21-7-5-20(2)6-8-21/h3-4,11,14H,5-10,12-13H2,1-2H3,(H,19,23)/t14-/m0/s1
InChIKeyDNJUXDBMRSNJDT-AWEZNQCLSA-N
XLogP0.76
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide?
The IUPAC name of (3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide (CID 94180412) is (3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide is C[C@H]1COCCN1C(=O)NCc1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of (3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide?
The InChIKey is DNJUXDBMRSNJDT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-14-13-24-10-9-22(14)17(23)19-12-15-3-4-16(18-11-15)21-7-5-20(2)6-8-21/h3-4,11,14H,5-10,12-13H2,1-2H3,(H,19,23)/t14-/m0/s1.
What are the key properties of (3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide?
(3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 94180412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).