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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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).