3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide

C25H32N4O3 — CID 127250335

IUPAC3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide
SMILESCC1CCN(CCC(=O)N2CCOC(c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)CC1
InChIInChI=1S/C25H32N4O3/c1-18-7-10-28(11-8-18)12-9-24(30)29-13-14-32-23(17-29)22-6-5-21(16-27-22)19-3-2-4-20(15-19)25(26)31/h2-6,15-16,18,23H,7-14,17H2,1H3,(H2,26,31)
InChIKeySOJMHDNPTBFGSF-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.87
Rot. Bonds6

About 3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide

3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide (PubChem CID 127250335) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide
PubChem CID127250335
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide
SMILESCC1CCN(CCC(=O)N2CCOC(c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)CC1
InChIInChI=1S/C25H32N4O3/c1-18-7-10-28(11-8-18)12-9-24(30)29-13-14-32-23(17-29)22-6-5-21(16-27-22)19-3-2-4-20(15-19)25(26)31/h2-6,15-16,18,23H,7-14,17H2,1H3,(H2,26,31)
InChIKeySOJMHDNPTBFGSF-UHFFFAOYSA-N
XLogP2.87
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]benzamide
CID 127250409
3-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]-3-pyridinyl]benzoic acid
CID 175660676
1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
CID 110092846
1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one
CID 127252242
2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250449
3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 132772804
3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide
CID 95813262
3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide
CID 92615475
3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124956411
3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124950686
3-[6-[(2S)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124950685
4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 125014118

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide (CID 127250335) is 3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide is CC1CCN(CCC(=O)N2CCOC(c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)CC1.
What is the InChIKey of 3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide?
The InChIKey is SOJMHDNPTBFGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-18-7-10-28(11-8-18)12-9-24(30)29-13-14-32-23(17-29)22-6-5-21(16-27-22)19-3-2-4-20(15-19)25(26)31/h2-6,15-16,18,23H,7-14,17H2,1H3,(H2,26,31).
What are the key properties of 3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide?
3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide has a molecular weight of 436.56 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 127250335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).