(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide

C24H24F3N3O2 — CID 57397294

IUPAC(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide
SMILESO=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1c[nH]c2cccc(F)c12)C1CC1
InChIInChI=1S/C24H24F3N3O2/c25-18-7-4-15(10-20(18)27)24(32)8-9-28-12-17(24)23(31)30(16-5-6-16)13-14-11-29-21-3-1-2-19(26)22(14)21/h1-4,7,10-11,16-17,28-29,32H,5-6,8-9,12-13H2/t17-,24+/m1/s1
InChIKeyZGIDCXXYEXOUKL-OSPHWJPCSA-N
MW443.47 g/mol
LogP3.57
Rot. Bonds5

About (3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide

(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide (PubChem CID 57397294) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is (3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide
PubChem CID57397294
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide
SMILESO=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1c[nH]c2cccc(F)c12)C1CC1
InChIInChI=1S/C24H24F3N3O2/c25-18-7-4-15(10-20(18)27)24(32)8-9-28-12-17(24)23(31)30(16-5-6-16)13-14-11-29-21-3-1-2-19(26)22(14)21/h1-4,7,10-11,16-17,28-29,32H,5-6,8-9,12-13H2/t17-,24+/m1/s1
InChIKeyZGIDCXXYEXOUKL-OSPHWJPCSA-N
XLogP3.57
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,3'S)-N-cyclopropyl-5,6-difluoro-N-(quinolin-8-ylmethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide
CID 57390809
Cyclo(-D-Trp-Tyr)
CID 7408398
(3s,6s)-3-(4-Hydroxybenzyl)-6-(1h-Indol-3-Ylmethyl)piperazine-2,5-Dione
CID 7408259
N-[(S)-4-(3,5-Bis-trifluoromethyl-phenyl)-1-(1H-indol-3-ylmethyl)-2-oxo-butyl]-3-piperidin-1-yl-propionamide
CID 10076669
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-4-(2,3-dihydroxypropoxy)-N-[[4-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]piperidine-3-carboxamide
CID 53307874
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 53307875
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 53307957
[(4R,4aS,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(1H-indol-4-yl)methanone
CID 54585147
(3S,4R)-N-[[7-(2-cyanoethyl)-4-fluoro-1-(3-methoxypropyl)indol-3-yl]methyl]-N-cyclopropyl-4-(3,4-difluorophenyl)-4-hydroxypiperidine-3-carboxamide
CID 57390221
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-(3-methoxypropyl)-7-(morpholin-4-ylmethyl)indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57390222
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-(1,2-oxazol-4-ylmethyl)indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57390223
(3S,4R)-N-[(4-chloro-1H-indol-3-yl)methyl]-N-cyclopropyl-4-(3,4-difluorophenyl)-4-hydroxypiperidine-3-carboxamide
CID 57392012

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide (CID 57397294) is (3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide is O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1c[nH]c2cccc(F)c12)C1CC1.
What is the InChIKey of (3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide?
The InChIKey is ZGIDCXXYEXOUKL-OSPHWJPCSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c25-18-7-4-15(10-20(18)27)24(32)8-9-28-12-17(24)23(31)30(16-5-6-16)13-14-11-29-21-3-1-2-19(26)22(14)21/h1-4,7,10-11,16-17,28-29,32H,5-6,8-9,12-13H2/t17-,24+/m1/s1.
What are the key properties of (3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide?
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide has a molecular weight of 443.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 57397294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).