ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate

C18H29N5O3 — CID 126436811

IUPACethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2ccc([C@H]3CCCNC3)n2)CC1
InChIInChI=1S/C18H29N5O3/c1-2-26-18(25)22-9-5-15(6-10-22)20-17(24)13-23-11-7-16(21-23)14-4-3-8-19-12-14/h7,11,14-15,19H,2-6,8-10,12-13H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyVYRHQHWSBSCNCL-AWEZNQCLSA-N
MW363.46 g/mol
LogP1.09
Rot. Bonds5

About ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate (PubChem CID 126436811) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate
PubChem CID126436811
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Nameethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2ccc([C@H]3CCCNC3)n2)CC1
InChIInChI=1S/C18H29N5O3/c1-2-26-18(25)22-9-5-15(6-10-22)20-17(24)13-23-11-7-16(21-23)14-4-3-8-19-12-14/h7,11,14-15,19H,2-6,8-10,12-13H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyVYRHQHWSBSCNCL-AWEZNQCLSA-N
XLogP1.09
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

N-(oxan-4-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126440551
2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride
CID 154904644
N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126426695
N-ethyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-propylacetamide
CID 119073593
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126438280
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428752
N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119072989
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126437249
2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 126423858
2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 119059529
N-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126442555
N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119068979

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate (CID 126436811) is ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cn2ccc([C@H]3CCCNC3)n2)CC1.
What is the InChIKey of ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is VYRHQHWSBSCNCL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-2-26-18(25)22-9-5-15(6-10-22)20-17(24)13-23-11-7-16(21-23)14-4-3-8-19-12-14/h7,11,14-15,19H,2-6,8-10,12-13H2,1H3,(H,20,24)/t14-/m0/s1.
What are the key properties of ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 126436811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).