3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide

C23H30N4O3 — CID 92615475

IUPAC3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide
SMILESCOC[C@H](C)NC(=O)CN1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1
InChIInChI=1S/C23H30N4O3/c1-16(15-30-2)26-22(28)14-27-10-8-17(9-11-27)21-7-6-20(13-25-21)18-4-3-5-19(12-18)23(24)29/h3-7,12-13,16-17H,8-11,14-15H2,1-2H3,(H2,24,29)(H,26,28)/t16-/m0/s1
InChIKeySBRLQNJDPBQKJM-INIZCTEOSA-N
MW410.52 g/mol
LogP2.18
Rot. Bonds8

About 3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide

3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide (PubChem CID 92615475) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide
PubChem CID92615475
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide
SMILESCOC[C@H](C)NC(=O)CN1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1
InChIInChI=1S/C23H30N4O3/c1-16(15-30-2)26-22(28)14-27-10-8-17(9-11-27)21-7-6-20(13-25-21)18-4-3-5-19(12-18)23(24)29/h3-7,12-13,16-17H,8-11,14-15H2,1-2H3,(H2,24,29)(H,26,28)/t16-/m0/s1
InChIKeySBRLQNJDPBQKJM-INIZCTEOSA-N
XLogP2.18
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 92615457
2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 95834221
N-[(2R)-1-methoxypropan-2-yl]-2-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 95834223
N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 92616683
N-[(2R)-1-methoxypropan-2-yl]-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 124970558
3-[6-[1-[(2R)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide
CID 92615480
3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide
CID 92615481
2-(4-benzoylpiperidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 134049466
3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide
CID 95813262
N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093178
N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093175
2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 124947488

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide (CID 92615475) is 3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide is COC[C@H](C)NC(=O)CN1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1.
What is the InChIKey of 3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide?
The InChIKey is SBRLQNJDPBQKJM-INIZCTEOSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-16(15-30-2)26-22(28)14-27-10-8-17(9-11-27)21-7-6-20(13-25-21)18-4-3-5-19(12-18)23(24)29/h3-7,12-13,16-17H,8-11,14-15H2,1-2H3,(H2,24,29)(H,26,28)/t16-/m0/s1.
What are the key properties of 3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide?
3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide has a molecular weight of 410.52 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 92615475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).