N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide

C18H26N4O3S — CID 55903005

IUPACN-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)N2CCC(C(=O)NC3CC3)CC2)cs1
InChIInChI=1S/C18H26N4O3S/c1-11(2)16(24)21-18-20-14(10-26-18)9-15(23)22-7-5-12(6-8-22)17(25)19-13-3-4-13/h10-13H,3-9H2,1-2H3,(H,19,25)(H,20,21,24)
InChIKeyHCRWXMLDZXMBNX-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.80
Rot. Bonds6

About N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide

N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide (PubChem CID 55903005) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
PubChem CID55903005
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)N2CCC(C(=O)NC3CC3)CC2)cs1
InChIInChI=1S/C18H26N4O3S/c1-11(2)16(24)21-18-20-14(10-26-18)9-15(23)22-7-5-12(6-8-22)17(25)19-13-3-4-13/h10-13H,3-9H2,1-2H3,(H,19,25)(H,20,21,24)
InChIKeyHCRWXMLDZXMBNX-UHFFFAOYSA-N
XLogP1.80
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide (CID 55903005) is N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide is CC(C)C(=O)Nc1nc(CC(=O)N2CCC(C(=O)NC3CC3)CC2)cs1.
What is the InChIKey of N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is HCRWXMLDZXMBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-11(2)16(24)21-18-20-14(10-26-18)9-15(23)22-7-5-12(6-8-22)17(25)19-13-3-4-13/h10-13H,3-9H2,1-2H3,(H,19,25)(H,20,21,24).
What are the key properties of N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 55903005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).