N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide

C19H25N3O2 — CID 96567399

IUPACN-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide
SMILESCCCC(=O)N[C@@H]1CCCN(c2nc3ccccc3cc2CO)C1
InChIInChI=1S/C19H25N3O2/c1-2-6-18(24)20-16-8-5-10-22(12-16)19-15(13-23)11-14-7-3-4-9-17(14)21-19/h3-4,7,9,11,16,23H,2,5-6,8,10,12-13H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyXEDUMMCLWNSLAK-MRXNPFEDSA-N
MW327.43 g/mol
LogP2.61
Rot. Bonds5

About N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide

N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide (PubChem CID 96567399) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide
PubChem CID96567399
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide
SMILESCCCC(=O)N[C@@H]1CCCN(c2nc3ccccc3cc2CO)C1
InChIInChI=1S/C19H25N3O2/c1-2-6-18(24)20-16-8-5-10-22(12-16)19-15(13-23)11-14-7-3-4-9-17(14)21-19/h3-4,7,9,11,16,23H,2,5-6,8,10,12-13H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyXEDUMMCLWNSLAK-MRXNPFEDSA-N
XLogP2.61
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-(hydroxymethyl)quinolin-2-yl]piperidine-3-carboxylate
CID 91662062
2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol
CID 75421713
[2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol
CID 97438095
[2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol
CID 61421257
N-[(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-yl]butanamide
CID 96567403
N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide
CID 166323522
(3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol
CID 56884115
[2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol
CID 97453459
1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol
CID 61434840
N-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 163345952
N-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)butanamide
CID 133354808
N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide
CID 60621042

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide?
The IUPAC name of N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide (CID 96567399) is N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide.
What is the SMILES notation for N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide?
The canonical SMILES for N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide is CCCC(=O)N[C@@H]1CCCN(c2nc3ccccc3cc2CO)C1.
What is the InChIKey of N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide?
The InChIKey is XEDUMMCLWNSLAK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-6-18(24)20-16-8-5-10-22(12-16)19-15(13-23)11-14-7-3-4-9-17(14)21-19/h3-4,7,9,11,16,23H,2,5-6,8,10,12-13H2,1H3,(H,20,24)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide?
N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide has a molecular weight of 327.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide is sourced from PubChem (CID 96567399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).