N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide

C18H25N3OS — CID 159868456

IUPACN-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCc1nc(C2=CCC(C(=O)NCCN3CCCCC3C)=C2)cs1
InChIInChI=1S/C18H25N3OS/c1-13-5-3-4-9-21(13)10-8-19-18(22)16-7-6-15(11-16)17-12-23-14(2)20-17/h6,11-13H,3-5,7-10H2,1-2H3,(H,19,22)
InChIKeyNSAKIYOZWWDAON-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.16
Rot. Bonds5

About N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide

N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide (PubChem CID 159868456) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
PubChem CID159868456
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC NameN-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCc1nc(C2=CCC(C(=O)NCCN3CCCCC3C)=C2)cs1
InChIInChI=1S/C18H25N3OS/c1-13-5-3-4-9-21(13)10-8-19-18(22)16-7-6-15(11-16)17-12-23-14(2)20-17/h6,11-13H,3-5,7-10H2,1-2H3,(H,19,22)
InChIKeyNSAKIYOZWWDAON-UHFFFAOYSA-N
XLogP3.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide (CID 159868456) is N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide is Cc1nc(C2=CCC(C(=O)NCCN3CCCCC3C)=C2)cs1.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is NSAKIYOZWWDAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-13-5-3-4-9-21(13)10-8-19-18(22)16-7-6-15(11-16)17-12-23-14(2)20-17/h6,11-13H,3-5,7-10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 331.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 159868456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).