ethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate

C19H32N4O4 — CID 45208447

IUPACethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(N2CCCC(C(=O)NC3CC3)C2)CC1
InChIInChI=1S/C19H32N4O4/c1-2-27-17(24)12-20-19(26)22-10-7-16(8-11-22)23-9-3-4-14(13-23)18(25)21-15-5-6-15/h14-16H,2-13H2,1H3,(H,20,26)(H,21,25)
InChIKeyVBSNQJIZUKOHFG-UHFFFAOYSA-N
MW380.49 g/mol
LogP0.71
Rot. Bonds6

About ethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate

ethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate (PubChem CID 45208447) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate
PubChem CID45208447
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC Nameethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(N2CCCC(C(=O)NC3CC3)C2)CC1
InChIInChI=1S/C19H32N4O4/c1-2-27-17(24)12-20-19(26)22-10-7-16(8-11-22)23-9-3-4-14(13-23)18(25)21-15-5-6-15/h14-16H,2-13H2,1H3,(H,20,26)(H,21,25)
InChIKeyVBSNQJIZUKOHFG-UHFFFAOYSA-N
XLogP0.71
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 75239371
ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 46872062
N-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 74229943
ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate
CID 20907546
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 45224052
ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
CID 61403470
N-cyclopropyl-1-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45220733
(3R)-N-cyclopropyl-1-[1-(2-methylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26323417
(3R)-N-cyclopropyl-1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42191973
N-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
CID 45233968
(3R)-N-cyclopropyl-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549906
(3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95552645

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate (CID 45208447) is ethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCC(N2CCCC(C(=O)NC3CC3)C2)CC1.
What is the InChIKey of ethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate?
The InChIKey is VBSNQJIZUKOHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-2-27-17(24)12-20-19(26)22-10-7-16(8-11-22)23-9-3-4-14(13-23)18(25)21-15-5-6-15/h14-16H,2-13H2,1H3,(H,20,26)(H,21,25).
What are the key properties of ethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate?
ethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate has a molecular weight of 380.49 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 45208447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).