ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate

C18H29N3O4 — CID 51165095

IUPACethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCN(C(=O)C3CC3)CC2)CC1
InChIInChI=1S/C18H29N3O4/c1-2-25-18(24)21-11-7-15(8-12-21)19-16(22)13-5-9-20(10-6-13)17(23)14-3-4-14/h13-15H,2-12H2,1H3,(H,19,22)
InChIKeyHJAWOOYTIZGMBG-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.37
Rot. Bonds4

About ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 51165095) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID51165095
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Nameethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCN(C(=O)C3CC3)CC2)CC1
InChIInChI=1S/C18H29N3O4/c1-2-25-18(24)21-11-7-15(8-12-21)19-16(22)13-5-9-20(10-6-13)17(23)14-3-4-14/h13-15H,2-12H2,1H3,(H,19,22)
InChIKeyHJAWOOYTIZGMBG-UHFFFAOYSA-N
XLogP1.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109144510
ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109149356
ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate
CID 24699538
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 110686039
2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate
CID 79346721
ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
CID 60758306
ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate
CID 62776469
ethyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 60637131
1-(cyclopropanecarbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 43389164
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate (CID 51165095) is ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CCN(C(=O)C3CC3)CC2)CC1.
What is the InChIKey of ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is HJAWOOYTIZGMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-2-25-18(24)21-11-7-15(8-12-21)19-16(22)13-5-9-20(10-6-13)17(23)14-3-4-14/h13-15H,2-12H2,1H3,(H,19,22).
What are the key properties of ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 51165095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).