carboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid

C19H27N3O5 — CID 18654098

IUPACcarboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid
SMILESCC1CCN(C(=O)CCC[C@@H](Cc2ccccn2)N(C(=O)O)C(=O)O)CC1
InChIInChI=1S/C19H27N3O5/c1-14-8-11-21(12-9-14)17(23)7-4-6-16(22(18(24)25)19(26)27)13-15-5-2-3-10-20-15/h2-3,5,10,14,16H,4,6-9,11-13H2,1H3,(H,24,25)(H,26,27)/t16-/m0/s1
InChIKeyZLEOYCQRGZQAGX-INIZCTEOSA-N
MW377.44 g/mol
LogP3.08
Rot. Bonds7

About carboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid

carboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid (PubChem CID 18654098) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is carboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid.

Molecular Properties

Compound Namecarboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid
PubChem CID18654098
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Namecarboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid
SMILESCC1CCN(C(=O)CCC[C@@H](Cc2ccccn2)N(C(=O)O)C(=O)O)CC1
InChIInChI=1S/C19H27N3O5/c1-14-8-11-21(12-9-14)17(23)7-4-6-16(22(18(24)25)19(26)27)13-15-5-2-3-10-20-15/h2-3,5,10,14,16H,4,6-9,11-13H2,1H3,(H,24,25)(H,26,27)/t16-/m0/s1
InChIKeyZLEOYCQRGZQAGX-INIZCTEOSA-N
XLogP3.08
TPSA111.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 109014316
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014307
5-methyl-6-pyridin-2-ylhexanoic acid
CID 58070898
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81466575
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 129002934
1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129473864
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129005727
1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
CID 95178018
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190

Frequently Asked Questions

What is the IUPAC name of carboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid?
The IUPAC name of carboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid (CID 18654098) is carboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid.
What is the SMILES notation for carboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid?
The canonical SMILES for carboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid is CC1CCN(C(=O)CCC[C@@H](Cc2ccccn2)N(C(=O)O)C(=O)O)CC1.
What is the InChIKey of carboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid?
The InChIKey is ZLEOYCQRGZQAGX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-14-8-11-21(12-9-14)17(23)7-4-6-16(22(18(24)25)19(26)27)13-15-5-2-3-10-20-15/h2-3,5,10,14,16H,4,6-9,11-13H2,1H3,(H,24,25)(H,26,27)/t16-/m0/s1.
What are the key properties of carboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid?
carboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid has a molecular weight of 377.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy-[(2S)-6-(4-methylpiperidin-1-yl)-6-oxo-1-pyridin-2-ylhexan-2-yl]carbamic acid is sourced from PubChem (CID 18654098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).