N-[4-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-3,4-dihydropyridin-6-yl]acetamide

C26H27F2N3O3 — CID 70820569

IUPACN-[4-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-3,4-dihydropyridin-6-yl]acetamide
SMILESCC(=O)NC1=CC(C2(O)CCN(Cc3ccc(C(=O)c4ccc(F)c(F)c4)cc3)CC2)CC=N1
InChIInChI=1S/C26H27F2N3O3/c1-17(32)30-24-15-21(8-11-29-24)26(34)9-12-31(13-10-26)16-18-2-4-19(5-3-18)25(33)20-6-7-22(27)23(28)14-20/h2-7,11,14-15,21,34H,8-10,12-13,16H2,1H3,(H,30,32)
InChIKeyWGHZXIKUVQQECB-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.59
Rot. Bonds6

About N-[4-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-3,4-dihydropyridin-6-yl]acetamide

N-[4-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-3,4-dihydropyridin-6-yl]acetamide (PubChem CID 70820569) has the molecular formula C26H27F2N3O3 and a molecular weight of 467.52 g/mol. Its IUPAC name is N-[4-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-3,4-dihydropyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-3,4-dihydropyridin-6-yl]acetamide
PubChem CID70820569
Molecular FormulaC26H27F2N3O3
Molecular Weight467.52 g/mol
Exact Mass467.20
IUPAC NameN-[4-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-3,4-dihydropyridin-6-yl]acetamide
SMILESCC(=O)NC1=CC(C2(O)CCN(Cc3ccc(C(=O)c4ccc(F)c(F)c4)cc3)CC2)CC=N1
InChIInChI=1S/C26H27F2N3O3/c1-17(32)30-24-15-21(8-11-29-24)26(34)9-12-31(13-10-26)16-18-2-4-19(5-3-18)25(33)20-6-7-22(27)23(28)14-20/h2-7,11,14-15,21,34H,8-10,12-13,16H2,1H3,(H,30,32)
InChIKeyWGHZXIKUVQQECB-UHFFFAOYSA-N
XLogP3.59
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]phenyl]acetamide
CID 143782056
(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724260
(3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone
CID 90671403
(3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
CID 24724477
N-[(E)-[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]amino]acetamide
CID 87649970
N-[[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]amino]acetamide
CID 87649971
(3S)-8-benzyl-4-(3,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658695
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574
1-[(4aR,8aR)-7-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4a-hydroxy-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 72864299
(4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724364
N-[(E)-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methylidene]amino]-N-methylacetamide
CID 87616402

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-3,4-dihydropyridin-6-yl]acetamide?
The IUPAC name of N-[4-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-3,4-dihydropyridin-6-yl]acetamide (CID 70820569) is N-[4-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-3,4-dihydropyridin-6-yl]acetamide.
What is the SMILES notation for N-[4-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-3,4-dihydropyridin-6-yl]acetamide?
The canonical SMILES for N-[4-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-3,4-dihydropyridin-6-yl]acetamide is CC(=O)NC1=CC(C2(O)CCN(Cc3ccc(C(=O)c4ccc(F)c(F)c4)cc3)CC2)CC=N1.
What is the InChIKey of N-[4-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-3,4-dihydropyridin-6-yl]acetamide?
The InChIKey is WGHZXIKUVQQECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O3/c1-17(32)30-24-15-21(8-11-29-24)26(34)9-12-31(13-10-26)16-18-2-4-19(5-3-18)25(33)20-6-7-22(27)23(28)14-20/h2-7,11,14-15,21,34H,8-10,12-13,16H2,1H3,(H,30,32).
What are the key properties of N-[4-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-3,4-dihydropyridin-6-yl]acetamide?
N-[4-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-3,4-dihydropyridin-6-yl]acetamide has a molecular weight of 467.52 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-3,4-dihydropyridin-6-yl]acetamide is sourced from PubChem (CID 70820569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).