N-[6-[1-(dimethylamino)ethyl]quinolin-8-yl]piperidine-1-carboxamide

C19H26N4O — CID 141363539

IUPACN-[6-[1-(dimethylamino)ethyl]quinolin-8-yl]piperidine-1-carboxamide
SMILESCC(c1cc(NC(=O)N2CCCCC2)c2ncccc2c1)N(C)C
InChIInChI=1S/C19H26N4O/c1-14(22(2)3)16-12-15-8-7-9-20-18(15)17(13-16)21-19(24)23-10-5-4-6-11-23/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,21,24)
InChIKeyMBNZGNZZPQXZDE-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.88
Rot. Bonds3

About N-[6-[1-(dimethylamino)ethyl]quinolin-8-yl]piperidine-1-carboxamide

N-[6-[1-(dimethylamino)ethyl]quinolin-8-yl]piperidine-1-carboxamide (PubChem CID 141363539) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[6-[1-(dimethylamino)ethyl]quinolin-8-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-[1-(dimethylamino)ethyl]quinolin-8-yl]piperidine-1-carboxamide
PubChem CID141363539
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[6-[1-(dimethylamino)ethyl]quinolin-8-yl]piperidine-1-carboxamide
SMILESCC(c1cc(NC(=O)N2CCCCC2)c2ncccc2c1)N(C)C
InChIInChI=1S/C19H26N4O/c1-14(22(2)3)16-12-15-8-7-9-20-18(15)17(13-16)21-19(24)23-10-5-4-6-11-23/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,21,24)
InChIKeyMBNZGNZZPQXZDE-UHFFFAOYSA-N
XLogP3.88
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(dimethylamino)ethyl]quinolin-8-yl]piperidine-1-carboxamide?
The IUPAC name of N-[6-[1-(dimethylamino)ethyl]quinolin-8-yl]piperidine-1-carboxamide (CID 141363539) is N-[6-[1-(dimethylamino)ethyl]quinolin-8-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[6-[1-(dimethylamino)ethyl]quinolin-8-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[6-[1-(dimethylamino)ethyl]quinolin-8-yl]piperidine-1-carboxamide is CC(c1cc(NC(=O)N2CCCCC2)c2ncccc2c1)N(C)C.
What is the InChIKey of N-[6-[1-(dimethylamino)ethyl]quinolin-8-yl]piperidine-1-carboxamide?
The InChIKey is MBNZGNZZPQXZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(22(2)3)16-12-15-8-7-9-20-18(15)17(13-16)21-19(24)23-10-5-4-6-11-23/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-[6-[1-(dimethylamino)ethyl]quinolin-8-yl]piperidine-1-carboxamide?
N-[6-[1-(dimethylamino)ethyl]quinolin-8-yl]piperidine-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(dimethylamino)ethyl]quinolin-8-yl]piperidine-1-carboxamide is sourced from PubChem (CID 141363539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).