(3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide

C17H20N4O2S — CID 94506074

IUPAC(3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide
SMILESCc1csc(NC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1
InChIInChI=1S/C17H20N4O2S/c1-11-10-24-17(19-11)20-16(23)12-4-6-14(7-5-12)21-8-2-3-13(9-21)15(18)22/h4-7,10,13H,2-3,8-9H2,1H3,(H2,18,22)(H,19,20,23)/t13-/m1/s1
InChIKeyUGRXPKSCOLTWPF-CYBMUJFWSA-N
MW344.44 g/mol
LogP2.41
Rot. Bonds4

About (3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide

(3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide (PubChem CID 94506074) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide
PubChem CID94506074
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide
SMILESCc1csc(NC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1
InChIInChI=1S/C17H20N4O2S/c1-11-10-24-17(19-11)20-16(23)12-4-6-14(7-5-12)21-8-2-3-13(9-21)15(18)22/h4-7,10,13H,2-3,8-9H2,1H3,(H2,18,22)(H,19,20,23)/t13-/m1/s1
InChIKeyUGRXPKSCOLTWPF-CYBMUJFWSA-N
XLogP2.41
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide (CID 94506074) is (3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide is Cc1csc(NC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1.
What is the InChIKey of (3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide?
The InChIKey is UGRXPKSCOLTWPF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-10-24-17(19-11)20-16(23)12-4-6-14(7-5-12)21-8-2-3-13(9-21)15(18)22/h4-7,10,13H,2-3,8-9H2,1H3,(H2,18,22)(H,19,20,23)/t13-/m1/s1.
What are the key properties of (3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide?
(3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 94506074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).