(3R,4R)-3-amino-4-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide

C18H23FN4OS — CID 154806356

IUPAC(3R,4R)-3-amino-4-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide
SMILESCc1ncc(C(C)NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](N)C2)s1
InChIInChI=1S/C18H23FN4OS/c1-11(17-9-21-12(2)25-17)22-18(24)23-8-7-15(16(20)10-23)13-3-5-14(19)6-4-13/h3-6,9,11,15-16H,7-8,10,20H2,1-2H3,(H,22,24)/t11?,15-,16+/m1/s1
InChIKeySLQPCGIRFRBOSD-ZNQYIGRYSA-N
MW362.47 g/mol
LogP3.18
Rot. Bonds3

About (3R,4R)-3-amino-4-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide

(3R,4R)-3-amino-4-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide (PubChem CID 154806356) has the molecular formula C18H23FN4OS and a molecular weight of 362.47 g/mol. Its IUPAC name is (3R,4R)-3-amino-4-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-3-amino-4-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide
PubChem CID154806356
Molecular FormulaC18H23FN4OS
Molecular Weight362.47 g/mol
Exact Mass362.16
IUPAC Name(3R,4R)-3-amino-4-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide
SMILESCc1ncc(C(C)NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](N)C2)s1
InChIInChI=1S/C18H23FN4OS/c1-11(17-9-21-12(2)25-17)22-18(24)23-8-7-15(16(20)10-23)13-3-5-14(19)6-4-13/h3-6,9,11,15-16H,7-8,10,20H2,1-2H3,(H,22,24)/t11?,15-,16+/m1/s1
InChIKeySLQPCGIRFRBOSD-ZNQYIGRYSA-N
XLogP3.18
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-((2R,5S)-5-(2-(aminomethyl)thiazol-5-yl)bicyclo[3.1.0]hexan-2-yl)-1-(3-((2S,5R)-2,5-dimethylpiperazin-1-yl)propyl)-3-(4-fluoro-3-(trifluoromethyl)phenyl)urea
CID 44434149
N-(2-fluorobenzyl)-3-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}propanamide
CID 16192085
(3R,5S)-N-benzyl-3,5-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 134142518
TRPV1 antagonist 3
CID 163322232
(2S)-2-(5-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 168281165
US10195201, Example 1
CID 138403691
US10710967, Example 241
CID 155883457
N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide
CID 134809825
(2S)-N-(4-fluorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 154636976
N-tert-butyl-4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide
CID 56665856
2,2-Dimethyl-1-[4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]propan-1-one
CID 56668899
(2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide
CID 56787681

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-4-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (3R,4R)-3-amino-4-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide (CID 154806356) is (3R,4R)-3-amino-4-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-3-amino-4-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R,4R)-3-amino-4-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide is Cc1ncc(C(C)NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](N)C2)s1.
What is the InChIKey of (3R,4R)-3-amino-4-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is SLQPCGIRFRBOSD-ZNQYIGRYSA-N. The full InChI is InChI=1S/C18H23FN4OS/c1-11(17-9-21-12(2)25-17)22-18(24)23-8-7-15(16(20)10-23)13-3-5-14(19)6-4-13/h3-6,9,11,15-16H,7-8,10,20H2,1-2H3,(H,22,24)/t11?,15-,16+/m1/s1.
What are the key properties of (3R,4R)-3-amino-4-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide?
(3R,4R)-3-amino-4-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-4-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 154806356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).