ethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate

C18H27BrN4O4 — CID 56565158

IUPACethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2n[nH]c(C(C)C)c2Br)CC1
InChIInChI=1S/C18H27BrN4O4/c1-5-27-18(26)12-6-8-23(9-7-12)13(24)10-22(4)17(25)16-14(19)15(11(2)3)20-21-16/h11-12H,5-10H2,1-4H3,(H,20,21)
InChIKeyYUHSXFUJZNXVSS-UHFFFAOYSA-N
MW443.34 g/mol
LogP2.17
Rot. Bonds6

About ethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate (PubChem CID 56565158) has the molecular formula C18H27BrN4O4 and a molecular weight of 443.34 g/mol. Its IUPAC name is ethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate
PubChem CID56565158
Molecular FormulaC18H27BrN4O4
Molecular Weight443.34 g/mol
Exact Mass442.12
IUPAC Nameethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2n[nH]c(C(C)C)c2Br)CC1
InChIInChI=1S/C18H27BrN4O4/c1-5-27-18(26)12-6-8-23(9-7-12)13(24)10-22(4)17(25)16-14(19)15(11(2)3)20-21-16/h11-12H,5-10H2,1-4H3,(H,20,21)
InChIKeyYUHSXFUJZNXVSS-UHFFFAOYSA-N
XLogP2.17
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate
CID 120635242
ethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate
CID 71856807
ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate;hydrochloride
CID 120635241
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate
CID 103693267
ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate
CID 1082805
ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate
CID 110685572
ethyl 1-[2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate
CID 56565127
ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
CID 30267760
ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate
CID 54917942
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate (CID 56565158) is ethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2n[nH]c(C(C)C)c2Br)CC1.
What is the InChIKey of ethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate?
The InChIKey is YUHSXFUJZNXVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN4O4/c1-5-27-18(26)12-6-8-23(9-7-12)13(24)10-22(4)17(25)16-14(19)15(11(2)3)20-21-16/h11-12H,5-10H2,1-4H3,(H,20,21).
What are the key properties of ethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate has a molecular weight of 443.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 56565158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).