N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide

C19H29N3O3 — CID 120506249

IUPACN-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)N[C@@H](C)CN)cc1
InChIInChI=1S/C19H29N3O3/c1-13(11-20)21-19(24)16-7-9-17(10-8-16)25-12-18(23)22-14(2)5-4-6-15(22)3/h7-10,13-15H,4-6,11-12,20H2,1-3H3,(H,21,24)/t13-,14?,15?/m0/s1
InChIKeyIHGLNXSJJMWPST-NFOMZHRRSA-N
MW347.46 g/mol
LogP1.93
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide

N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide (PubChem CID 120506249) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
PubChem CID120506249
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)N[C@@H](C)CN)cc1
InChIInChI=1S/C19H29N3O3/c1-13(11-20)21-19(24)16-7-9-17(10-8-16)25-12-18(23)22-14(2)5-4-6-15(22)3/h7-10,13-15H,4-6,11-12,20H2,1-3H3,(H,21,24)/t13-,14?,15?/m0/s1
InChIKeyIHGLNXSJJMWPST-NFOMZHRRSA-N
XLogP1.93
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoyl]amino]-3-propan-2-ylthiourea
CID 26839455
1-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]amino]-3-propan-2-ylthiourea
CID 42910897
N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119569045
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 55371723
N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119421973
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343
4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
CID 25352382
N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 55378182
N-[[(1R)-3,3-difluorocyclopentyl]methyl]-4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 100649511
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 47016422
[2-(cycloheptylamino)-2-oxoethyl] 4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoate
CID 41175982

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide (CID 120506249) is N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide is CC1CCCC(C)N1C(=O)COc1ccc(C(=O)N[C@@H](C)CN)cc1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?
The InChIKey is IHGLNXSJJMWPST-NFOMZHRRSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(11-20)21-19(24)16-7-9-17(10-8-16)25-12-18(23)22-14(2)5-4-6-15(22)3/h7-10,13-15H,4-6,11-12,20H2,1-3H3,(H,21,24)/t13-,14?,15?/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?
N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide has a molecular weight of 347.46 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 120506249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).