N-[4-[(1R)-2-[(4R)-6-chloro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]propanamide

C24H29ClN2O4 — CID 92585578

IUPACN-[4-[(1R)-2-[(4R)-6-chloro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1
InChIInChI=1S/C24H29ClN2O4/c1-2-23(30)26-18-6-3-16(4-7-18)21(29)15-27-11-9-24(10-12-27)14-20(28)19-13-17(25)5-8-22(19)31-24/h3-8,13,20-21,28-29H,2,9-12,14-15H2,1H3,(H,26,30)/t20-,21+/m1/s1
InChIKeyNOWPEOFLDJDBCM-RTWAWAEBSA-N
MW444.96 g/mol
LogP4.07
Rot. Bonds5

About N-[4-[(1R)-2-[(4R)-6-chloro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]propanamide

N-[4-[(1R)-2-[(4R)-6-chloro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]propanamide (PubChem CID 92585578) has the molecular formula C24H29ClN2O4 and a molecular weight of 444.96 g/mol. Its IUPAC name is N-[4-[(1R)-2-[(4R)-6-chloro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(1R)-2-[(4R)-6-chloro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]propanamide
PubChem CID92585578
Molecular FormulaC24H29ClN2O4
Molecular Weight444.96 g/mol
Exact Mass444.18
IUPAC NameN-[4-[(1R)-2-[(4R)-6-chloro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1
InChIInChI=1S/C24H29ClN2O4/c1-2-23(30)26-18-6-3-16(4-7-18)21(29)15-27-11-9-24(10-12-27)14-20(28)19-13-17(25)5-8-22(19)31-24/h3-8,13,20-21,28-29H,2,9-12,14-15H2,1H3,(H,26,30)/t20-,21+/m1/s1
InChIKeyNOWPEOFLDJDBCM-RTWAWAEBSA-N
XLogP4.07
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-2-[(4R)-6-chloro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]propanamide?
The IUPAC name of N-[4-[(1R)-2-[(4R)-6-chloro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]propanamide (CID 92585578) is N-[4-[(1R)-2-[(4R)-6-chloro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[(1R)-2-[(4R)-6-chloro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]propanamide?
The canonical SMILES for N-[4-[(1R)-2-[(4R)-6-chloro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]propanamide is CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1.
What is the InChIKey of N-[4-[(1R)-2-[(4R)-6-chloro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]propanamide?
The InChIKey is NOWPEOFLDJDBCM-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H29ClN2O4/c1-2-23(30)26-18-6-3-16(4-7-18)21(29)15-27-11-9-24(10-12-27)14-20(28)19-13-17(25)5-8-22(19)31-24/h3-8,13,20-21,28-29H,2,9-12,14-15H2,1H3,(H,26,30)/t20-,21+/m1/s1.
What are the key properties of N-[4-[(1R)-2-[(4R)-6-chloro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]propanamide?
N-[4-[(1R)-2-[(4R)-6-chloro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]propanamide has a molecular weight of 444.96 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-2-[(4R)-6-chloro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]propanamide is sourced from PubChem (CID 92585578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).