1-(2-methylpropyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)piperidine-2-carboxamide

C19H29N3O2 — CID 47882693

IUPAC1-(2-methylpropyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)piperidine-2-carboxamide
SMILESCC(C)CN1CCCCC1C(=O)NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C19H29N3O2/c1-13(2)12-22-11-4-3-8-17(22)19(24)21-16-7-5-6-15-14(16)9-10-18(23)20-15/h9-10,13,16-17H,3-8,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyWNQWRJIOZSVZNT-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.38
Rot. Bonds4

About 1-(2-methylpropyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)piperidine-2-carboxamide

1-(2-methylpropyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)piperidine-2-carboxamide (PubChem CID 47882693) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)piperidine-2-carboxamide
PubChem CID47882693
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(2-methylpropyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)piperidine-2-carboxamide
SMILESCC(C)CN1CCCCC1C(=O)NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C19H29N3O2/c1-13(2)12-22-11-4-3-8-17(22)19(24)21-16-7-5-6-15-14(16)9-10-18(23)20-15/h9-10,13,16-17H,3-8,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyWNQWRJIOZSVZNT-UHFFFAOYSA-N
XLogP2.38
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)piperidine-2-carboxamide (CID 47882693) is 1-(2-methylpropyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)piperidine-2-carboxamide is CC(C)CN1CCCCC1C(=O)NC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 1-(2-methylpropyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)piperidine-2-carboxamide?
The InChIKey is WNQWRJIOZSVZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)12-22-11-4-3-8-17(22)19(24)21-16-7-5-6-15-14(16)9-10-18(23)20-15/h9-10,13,16-17H,3-8,11-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 1-(2-methylpropyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)piperidine-2-carboxamide?
1-(2-methylpropyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)piperidine-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)piperidine-2-carboxamide is sourced from PubChem (CID 47882693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).