N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide

C18H23N3O2 — CID 124754325

IUPACN-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide
SMILESO=C(NCCN1CCC[C@@H](CO)C1)c1ccc2ncccc2c1
InChIInChI=1S/C18H23N3O2/c22-13-14-3-2-9-21(12-14)10-8-20-18(23)16-5-6-17-15(11-16)4-1-7-19-17/h1,4-7,11,14,22H,2-3,8-10,12-13H2,(H,20,23)/t14-/m1/s1
InChIKeyNSUQUNAOBZVZIZ-CQSZACIVSA-N
MW313.40 g/mol
LogP1.67
Rot. Bonds5

About N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide

N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide (PubChem CID 124754325) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide
PubChem CID124754325
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide
SMILESO=C(NCCN1CCC[C@@H](CO)C1)c1ccc2ncccc2c1
InChIInChI=1S/C18H23N3O2/c22-13-14-3-2-9-21(12-14)10-8-20-18(23)16-5-6-17-15(11-16)4-1-7-19-17/h1,4-7,11,14,22H,2-3,8-10,12-13H2,(H,20,23)/t14-/m1/s1
InChIKeyNSUQUNAOBZVZIZ-CQSZACIVSA-N
XLogP1.67
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide 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-(2-piperazin-1-ylethyl)quinoline-6-carboxamide
CID 62875225
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide
CID 56754635
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-benzothiophene-5-carboxamide
CID 70709796
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239780
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 126428240
N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride
CID 119620989
3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176504166
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 125155025
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide
CID 125161884
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone
CID 121479164
N-(piperidin-3-ylmethyl)quinoline-6-carboxamide
CID 62874382

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide?
The IUPAC name of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide (CID 124754325) is N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide?
The canonical SMILES for N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide is O=C(NCCN1CCC[C@@H](CO)C1)c1ccc2ncccc2c1.
What is the InChIKey of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide?
The InChIKey is NSUQUNAOBZVZIZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-13-14-3-2-9-21(12-14)10-8-20-18(23)16-5-6-17-15(11-16)4-1-7-19-17/h1,4-7,11,14,22H,2-3,8-10,12-13H2,(H,20,23)/t14-/m1/s1.
What are the key properties of N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide?
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide is sourced from PubChem (CID 124754325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).