ethyl 4-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]piperidine-1-carboxylate

C15H26N4O2 — CID 50979564

IUPACethyl 4-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)Cc2cc(C)[nH]n2)CC1
InChIInChI=1S/C15H26N4O2/c1-4-21-15(20)19-7-5-13(6-8-19)16-11(2)9-14-10-12(3)17-18-14/h10-11,13,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyRYGJIDSNDVHUAU-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.86
Rot. Bonds5

About ethyl 4-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]piperidine-1-carboxylate

ethyl 4-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]piperidine-1-carboxylate (PubChem CID 50979564) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is ethyl 4-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]piperidine-1-carboxylate
PubChem CID50979564
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nameethyl 4-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)Cc2cc(C)[nH]n2)CC1
InChIInChI=1S/C15H26N4O2/c1-4-21-15(20)19-7-5-13(6-8-19)16-11(2)9-14-10-12(3)17-18-14/h10-11,13,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyRYGJIDSNDVHUAU-UHFFFAOYSA-N
XLogP1.86
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]piperidine-1-carboxylate (CID 50979564) is ethyl 4-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(C)Cc2cc(C)[nH]n2)CC1.
What is the InChIKey of ethyl 4-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]piperidine-1-carboxylate?
The InChIKey is RYGJIDSNDVHUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-21-15(20)19-7-5-13(6-8-19)16-11(2)9-14-10-12(3)17-18-14/h10-11,13,16H,4-9H2,1-3H3,(H,17,18).
What are the key properties of ethyl 4-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]piperidine-1-carboxylate?
ethyl 4-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]piperidine-1-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]piperidine-1-carboxylate is sourced from PubChem (CID 50979564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).