ethyl 4-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]piperidine-1-carboxylate

C16H27N5O3 — CID 126823661

IUPACethyl 4-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C)(CNc2cnn(CC(=O)NC)c2)CC1
InChIInChI=1S/C16H27N5O3/c1-4-24-15(23)20-7-5-16(2,6-8-20)12-18-13-9-19-21(10-13)11-14(22)17-3/h9-10,18H,4-8,11-12H2,1-3H3,(H,17,22)
InChIKeyDBKRFCPZSJCMSY-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.30
Rot. Bonds6

About ethyl 4-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]piperidine-1-carboxylate

ethyl 4-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]piperidine-1-carboxylate (PubChem CID 126823661) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl 4-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]piperidine-1-carboxylate
PubChem CID126823661
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Nameethyl 4-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C)(CNc2cnn(CC(=O)NC)c2)CC1
InChIInChI=1S/C16H27N5O3/c1-4-24-15(23)20-7-5-16(2,6-8-20)12-18-13-9-19-21(10-13)11-14(22)17-3/h9-10,18H,4-8,11-12H2,1-3H3,(H,17,22)
InChIKeyDBKRFCPZSJCMSY-UHFFFAOYSA-N
XLogP1.30
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(4-amino-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 27281520
2-(4-Amino-1h-pyrazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
CID 28313578
1-(1-Methyl-1H-pyrazol-4-yl)-2-piperazinone
CID 64263444
1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 51098378
N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 51098380
N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 51098382
N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-4-carboxamide
CID 51098383
N-(1-ethylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 53551040
N-(1-ethylpyrazol-4-yl)-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
CID 53554445
1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 53574326
N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 53602398
1-acetyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)piperidine-4-carboxamide
CID 71810164

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]piperidine-1-carboxylate (CID 126823661) is ethyl 4-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C)(CNc2cnn(CC(=O)NC)c2)CC1.
What is the InChIKey of ethyl 4-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is DBKRFCPZSJCMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-4-24-15(23)20-7-5-16(2,6-8-20)12-18-13-9-19-21(10-13)11-14(22)17-3/h9-10,18H,4-8,11-12H2,1-3H3,(H,17,22).
What are the key properties of ethyl 4-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]piperidine-1-carboxylate?
ethyl 4-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 126823661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).