N-[2-[(2R)-2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide

C29H36F2N4O3 — CID 69344350

IUPACN-[2-[(2R)-2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESO=C1CO[C@](CCNC(=O)C2(N3CCCCC3)CCNCC2)(c2ccc(F)c(F)c2)CN1c1ccccc1
InChIInChI=1S/C29H36F2N4O3/c30-24-10-9-22(19-25(24)31)29(21-35(26(36)20-38-29)23-7-3-1-4-8-23)13-16-33-27(37)28(11-14-32-15-12-28)34-17-5-2-6-18-34/h1,3-4,7-10,19,32H,2,5-6,11-18,20-21H2,(H,33,37)/t29-/m0/s1
InChIKeyFBGDDYUZRGVGRB-LJAQVGFWSA-N
MW526.63 g/mol
LogP3.34
Rot. Bonds7

About N-[2-[(2R)-2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide

N-[2-[(2R)-2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 69344350) has the molecular formula C29H36F2N4O3 and a molecular weight of 526.63 g/mol. Its IUPAC name is N-[2-[(2R)-2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID69344350
Molecular FormulaC29H36F2N4O3
Molecular Weight526.63 g/mol
Exact Mass526.28
IUPAC NameN-[2-[(2R)-2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESO=C1CO[C@](CCNC(=O)C2(N3CCCCC3)CCNCC2)(c2ccc(F)c(F)c2)CN1c1ccccc1
InChIInChI=1S/C29H36F2N4O3/c30-24-10-9-22(19-25(24)31)29(21-35(26(36)20-38-29)23-7-3-1-4-8-23)13-16-33-27(37)28(11-14-32-15-12-28)34-17-5-2-6-18-34/h1,3-4,7-10,19,32H,2,5-6,11-18,20-21H2,(H,33,37)/t29-/m0/s1
InChIKeyFBGDDYUZRGVGRB-LJAQVGFWSA-N
XLogP3.34
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.63
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]benzoic acid
CID 68838198
N-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide
CID 67013731
2-[2-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)-5-oxomorpholin-2-yl]acetaldehyde
CID 87593087
8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999479
6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one
CID 68829209
6-(3,4-dichlorophenyl)-6-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one
CID 67012516
9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986070
N-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131930916
8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999463
4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one
CID 155239737
N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131926281
4-piperidin-1-ylpiperidine-4-carboxylic acid
CID 22185355

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[(2R)-2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 69344350) is N-[2-[(2R)-2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(2R)-2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[(2R)-2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide is O=C1CO[C@](CCNC(=O)C2(N3CCCCC3)CCNCC2)(c2ccc(F)c(F)c2)CN1c1ccccc1.
What is the InChIKey of N-[2-[(2R)-2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is FBGDDYUZRGVGRB-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H36F2N4O3/c30-24-10-9-22(19-25(24)31)29(21-35(26(36)20-38-29)23-7-3-1-4-8-23)13-16-33-27(37)28(11-14-32-15-12-28)34-17-5-2-6-18-34/h1,3-4,7-10,19,32H,2,5-6,11-18,20-21H2,(H,33,37)/t29-/m0/s1.
What are the key properties of N-[2-[(2R)-2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
N-[2-[(2R)-2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 526.63 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 69344350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).