N-propan-2-yl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide

C22H37N5OS — CID 25386247

IUPACN-propan-2-yl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C2CCN(Cc3cnc(N4CCCC4)s3)CC2)CC1
InChIInChI=1S/C22H37N5OS/c1-17(2)24-21(28)18-5-13-26(14-6-18)19-7-11-25(12-8-19)16-20-15-23-22(29-20)27-9-3-4-10-27/h15,17-19H,3-14,16H2,1-2H3,(H,24,28)
InChIKeyBUMGVJQPZHKMQF-UHFFFAOYSA-N
MW419.64 g/mol
LogP2.94
Rot. Bonds6

About N-propan-2-yl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide

N-propan-2-yl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 25386247) has the molecular formula C22H37N5OS and a molecular weight of 419.64 g/mol. Its IUPAC name is N-propan-2-yl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID25386247
Molecular FormulaC22H37N5OS
Molecular Weight419.64 g/mol
Exact Mass419.27
IUPAC NameN-propan-2-yl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C2CCN(Cc3cnc(N4CCCC4)s3)CC2)CC1
InChIInChI=1S/C22H37N5OS/c1-17(2)24-21(28)18-5-13-26(14-6-18)19-7-11-25(12-8-19)16-20-15-23-22(29-20)27-9-3-4-10-27/h15,17-19H,3-14,16H2,1-2H3,(H,24,28)
InChIKeyBUMGVJQPZHKMQF-UHFFFAOYSA-N
XLogP2.94
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.64
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-propan-2-yl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-propan-2-yl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide (CID 25386247) is N-propan-2-yl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide is CC(C)NC(=O)C1CCN(C2CCN(Cc3cnc(N4CCCC4)s3)CC2)CC1.
What is the InChIKey of N-propan-2-yl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is BUMGVJQPZHKMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5OS/c1-17(2)24-21(28)18-5-13-26(14-6-18)19-7-11-25(12-8-19)16-20-15-23-22(29-20)27-9-3-4-10-27/h15,17-19H,3-14,16H2,1-2H3,(H,24,28).
What are the key properties of N-propan-2-yl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
N-propan-2-yl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 419.64 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 25386247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).