methyl 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylate

C18H29N5O3 — CID 18969445

IUPACmethyl 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCNC(=O)c2cn(C3CCNCC3)cn2)CC1
InChIInChI=1S/C18H29N5O3/c1-26-18(25)14-4-9-22(10-5-14)11-8-20-17(24)16-12-23(13-21-16)15-2-6-19-7-3-15/h12-15,19H,2-11H2,1H3,(H,20,24)
InChIKeyMDDHYJPFOHZPKM-UHFFFAOYSA-N
MW363.46 g/mol
LogP0.42
Rot. Bonds6

About methyl 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylate

methyl 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylate (PubChem CID 18969445) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is methyl 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylate
PubChem CID18969445
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Namemethyl 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCNC(=O)c2cn(C3CCNCC3)cn2)CC1
InChIInChI=1S/C18H29N5O3/c1-26-18(25)14-4-9-22(10-5-14)11-8-20-17(24)16-12-23(13-21-16)15-2-6-19-7-3-15/h12-15,19H,2-11H2,1H3,(H,20,24)
InChIKeyMDDHYJPFOHZPKM-UHFFFAOYSA-N
XLogP0.42
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylate (CID 18969445) is methyl 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylate is COC(=O)C1CCN(CCNC(=O)c2cn(C3CCNCC3)cn2)CC1.
What is the InChIKey of methyl 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylate?
The InChIKey is MDDHYJPFOHZPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-26-18(25)14-4-9-22(10-5-14)11-8-20-17(24)16-12-23(13-21-16)15-2-6-19-7-3-15/h12-15,19H,2-11H2,1H3,(H,20,24).
What are the key properties of methyl 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylate?
methyl 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(1-piperidin-4-ylimidazole-4-carbonyl)amino]ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 18969445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).