ethyl 4-[(4,5-diethyl-2-methylpyrazol-3-yl)carbamoylamino]piperidine-1-carboxylate

C17H29N5O3 — CID 118782065

IUPACethyl 4-[(4,5-diethyl-2-methylpyrazol-3-yl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2c(CC)c(CC)nn2C)CC1
InChIInChI=1S/C17H29N5O3/c1-5-13-14(6-2)20-21(4)15(13)19-16(23)18-12-8-10-22(11-9-12)17(24)25-7-3/h12H,5-11H2,1-4H3,(H2,18,19,23)
InChIKeyPBFKGXXIJKKLDR-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.29
Rot. Bonds5

About ethyl 4-[(4,5-diethyl-2-methylpyrazol-3-yl)carbamoylamino]piperidine-1-carboxylate

ethyl 4-[(4,5-diethyl-2-methylpyrazol-3-yl)carbamoylamino]piperidine-1-carboxylate (PubChem CID 118782065) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is ethyl 4-[(4,5-diethyl-2-methylpyrazol-3-yl)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4,5-diethyl-2-methylpyrazol-3-yl)carbamoylamino]piperidine-1-carboxylate
PubChem CID118782065
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Nameethyl 4-[(4,5-diethyl-2-methylpyrazol-3-yl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2c(CC)c(CC)nn2C)CC1
InChIInChI=1S/C17H29N5O3/c1-5-13-14(6-2)20-21(4)15(13)19-16(23)18-12-8-10-22(11-9-12)17(24)25-7-3/h12H,5-11H2,1-4H3,(H2,18,19,23)
InChIKeyPBFKGXXIJKKLDR-UHFFFAOYSA-N
XLogP2.29
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 51104980
N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 51105444
N-ethyl-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 53539387
N-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine
CID 53540028
N-cyclohexyl-N'-(3-ethyl-1,4-dimethyl-1H-pyrazol-5-yl)-N-methylsuccinamide
CID 134712989
N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide
CID 164642775
tert-butyl N-[1-[methyliminomethyl-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]amino]ethyl]carbamate
CID 130234936
tert-butyl (4S)-2-(4,4-difluorocyclohexyl)-4-methyl-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 167350144
tert-butyl (4S)-2-(4,4-difluorocyclohexyl)-3-(2,2-dimethoxyethylcarbamoylamino)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 167350287
tert-butyl (4S)-3-amino-2-(4,4-difluorocyclohexyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 167350311
2,2-difluoropropyl N-[1-cyclopentyl-3-(1,1-difluoro-3-methylpentan-3-yl)-4-methylpyrazol-5-yl]carbamate
CID 169169641
(2-fluoro-2-methylpropyl) N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate
CID 172633789

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4,5-diethyl-2-methylpyrazol-3-yl)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4,5-diethyl-2-methylpyrazol-3-yl)carbamoylamino]piperidine-1-carboxylate (CID 118782065) is ethyl 4-[(4,5-diethyl-2-methylpyrazol-3-yl)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4,5-diethyl-2-methylpyrazol-3-yl)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4,5-diethyl-2-methylpyrazol-3-yl)carbamoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Nc2c(CC)c(CC)nn2C)CC1.
What is the InChIKey of ethyl 4-[(4,5-diethyl-2-methylpyrazol-3-yl)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is PBFKGXXIJKKLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-5-13-14(6-2)20-21(4)15(13)19-16(23)18-12-8-10-22(11-9-12)17(24)25-7-3/h12H,5-11H2,1-4H3,(H2,18,19,23).
What are the key properties of ethyl 4-[(4,5-diethyl-2-methylpyrazol-3-yl)carbamoylamino]piperidine-1-carboxylate?
ethyl 4-[(4,5-diethyl-2-methylpyrazol-3-yl)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4,5-diethyl-2-methylpyrazol-3-yl)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 118782065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).