N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide

C23H33FN4O3 — CID 60543938

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C23H33FN4O3/c24-20-3-1-18(2-4-20)17-26-9-7-21(8-10-26)25-23(30)28-11-5-19(6-12-28)22(29)27-13-15-31-16-14-27/h1-4,19,21H,5-17H2,(H,25,30)
InChIKeyZSOBELAWWIIUJS-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.07
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide (PubChem CID 60543938) has the molecular formula C23H33FN4O3 and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
PubChem CID60543938
Molecular FormulaC23H33FN4O3
Molecular Weight432.54 g/mol
Exact Mass432.25
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C23H33FN4O3/c24-20-3-1-18(2-4-20)17-26-9-7-21(8-10-26)25-23(30)28-11-5-19(6-12-28)22(29)27-13-15-31-16-14-27/h1-4,19,21H,5-17H2,(H,25,30)
InChIKeyZSOBELAWWIIUJS-UHFFFAOYSA-N
XLogP2.07
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435209
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
CID 138998311
4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 4531486
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 883926
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901440
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 45014849
3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide
CID 75373599
2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 126711751
N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide
CID 175649779
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]morpholine-4-carboxamide
CID 110871493

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide (CID 60543938) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide?
The InChIKey is ZSOBELAWWIIUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4O3/c24-20-3-1-18(2-4-20)17-26-9-7-21(8-10-26)25-23(30)28-11-5-19(6-12-28)22(29)27-13-15-31-16-14-27/h1-4,19,21H,5-17H2,(H,25,30).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 60543938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).