ethyl 2-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate

C16H29N3O3 — CID 20907463

IUPACethyl 2-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C16H29N3O3/c1-2-22-15(20)12-17-16(21)19-10-6-14(7-11-19)13-18-8-4-3-5-9-18/h14H,2-13H2,1H3,(H,17,21)
InChIKeyXJTXALFTDCHUET-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.46
Rot. Bonds5

About ethyl 2-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate

ethyl 2-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate (PubChem CID 20907463) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is ethyl 2-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate
PubChem CID20907463
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nameethyl 2-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C16H29N3O3/c1-2-22-15(20)12-17-16(21)19-10-6-14(7-11-19)13-18-8-4-3-5-9-18/h14H,2-13H2,1H3,(H,17,21)
InChIKeyXJTXALFTDCHUET-UHFFFAOYSA-N
XLogP1.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-methyl-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 97976648
Ethyl 2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate
CID 60650203
Ethyl 2-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]acetate
CID 65530473
ethyl N-[4-fluoro-4-(morpholine-4-carbonyl)piperidine-1-carbonyl]glycinate
CID 132443340
ethyl N-{4-[(pyrrolidin-1-yl)methyl]piperidine-1-carbonyl}glycinate
CID 20907546
Ethyl 2-[[4-(azepan-1-ylmethyl)piperidine-1-carbonyl]amino]acetate
CID 20907601
4-(morpholin-4-ylmethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 46261011
ethyl N-{4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl}glycinate
CID 46366140
ethyl N-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undec-9-yl)carbonyl]alaninate
CID 56741563
Ethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate
CID 126461881
Ethyl 2-[(4-methylpiperidyl)carbonylamino]acetate
CID 17174447
Ethyl 2-(2-oxo-3-piperidin-4-yl-1,3-diazinan-1-yl)acetate
CID 22137532

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate (CID 20907463) is ethyl 2-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCC(CN2CCCCC2)CC1.
What is the InChIKey of ethyl 2-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate?
The InChIKey is XJTXALFTDCHUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-2-22-15(20)12-17-16(21)19-10-6-14(7-11-19)13-18-8-4-3-5-9-18/h14H,2-13H2,1H3,(H,17,21).
What are the key properties of ethyl 2-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate?
ethyl 2-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate has a molecular weight of 311.43 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 20907463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).