N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide

C22H27N3O3 — CID 91778980

IUPACN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide
SMILESO=C(CCN1CCCCC1=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C22H27N3O3/c26-18-12-16(13-18)22(17-11-15-5-1-2-6-19(15)23-14-17)24-20(27)8-10-25-9-4-3-7-21(25)28/h1-2,5-6,11,14,16,18,22,26H,3-4,7-10,12-13H2,(H,24,27)
InChIKeyJGEFCDDGZFQECZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.57
Rot. Bonds6

About N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide

N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide (PubChem CID 91778980) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide
PubChem CID91778980
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide
SMILESO=C(CCN1CCCCC1=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C22H27N3O3/c26-18-12-16(13-18)22(17-11-15-5-1-2-6-19(15)23-14-17)24-20(27)8-10-25-9-4-3-7-21(25)28/h1-2,5-6,11,14,16,18,22,26H,3-4,7-10,12-13H2,(H,24,27)
InChIKeyJGEFCDDGZFQECZ-UHFFFAOYSA-N
XLogP2.57
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-N-cyclopropyl-N-[[6-(3-methoxypropyl)quinolin-8-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 56660076
(S)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-3-quinolin-3-yl-propionic acid
CID 9825804
(R)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-3-quinolin-3-yl-propionic acid
CID 10719036
N-(4-hydroxycyclohexyl)quinoline-8-carboxamide
CID 9268568
N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]quinoline-3-carboxamide
CID 10049290
Quinoline-3-carboxylic acid ((1S,2S,4R)-1-cyclohexylmethyl-2-hydroxy-6-methyl-4-methylcarbamoyl-heptyl)-amide
CID 44308819
(3R,4S)-N-cyclopropyl-N-[[2-(3-methoxypropyl)quinolin-4-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 44481860
N-[(2S,3S)-4-(4-benzylpiperazin-1-yl)-3-hydroxy-1-phenylbutan-2-yl]quinoline-3-carboxamide
CID 168298895
N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]quinoline-6-carboxamide
CID 44308997
N-[(2S,3S,5R)-5-carbamoyl-1-cyclohexyl-3-hydroxy-7-methyloctan-2-yl]quinoline-3-carboxamide
CID 44309091
(1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol
CID 10469865
N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(quinolin-8-yl)acetamide
CID 90242203

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide (CID 91778980) is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide is O=C(CCN1CCCCC1=O)NC(c1cnc2ccccc2c1)C1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide?
The InChIKey is JGEFCDDGZFQECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-18-12-16(13-18)22(17-11-15-5-1-2-6-19(15)23-14-17)24-20(27)8-10-25-9-4-3-7-21(25)28/h1-2,5-6,11,14,16,18,22,26H,3-4,7-10,12-13H2,(H,24,27).
What are the key properties of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide?
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide has a molecular weight of 381.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide is sourced from PubChem (CID 91778980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).