ethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate

C17H30N2O3 — CID 11220628

IUPACethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate
SMILESCCOC(=O)CC1(CNC(=O)C2CCNCC2)CCCCC1
InChIInChI=1S/C17H30N2O3/c1-2-22-15(20)12-17(8-4-3-5-9-17)13-19-16(21)14-6-10-18-11-7-14/h14,18H,2-13H2,1H3,(H,19,21)
InChIKeySNTDBXVHNLOCJA-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.01
Rot. Bonds6

About ethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate

ethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate (PubChem CID 11220628) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is ethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate
PubChem CID11220628
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nameethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate
SMILESCCOC(=O)CC1(CNC(=O)C2CCNCC2)CCCCC1
InChIInChI=1S/C17H30N2O3/c1-2-22-15(20)12-17(8-4-3-5-9-17)13-19-16(21)14-6-10-18-11-7-14/h14,18H,2-13H2,1H3,(H,19,21)
InChIKeySNTDBXVHNLOCJA-UHFFFAOYSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119782174
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119820344
N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
CID 112701948
ethyl 2-[1-[[(2-amino-3-hydroxypropanoyl)amino]methyl]cyclohexyl]acetate
CID 11414953
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide
CID 119820405
N-[(1-cyclopropylcyclopropyl)methyl]piperidine-4-carboxamide
CID 103950884
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
ethyl 2-(4-ethylpiperidin-4-yl)acetate
CID 167523554
2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164623
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
CID 119326846
N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide
CID 91660383

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate (CID 11220628) is ethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate is CCOC(=O)CC1(CNC(=O)C2CCNCC2)CCCCC1.
What is the InChIKey of ethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate?
The InChIKey is SNTDBXVHNLOCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-2-22-15(20)12-17(8-4-3-5-9-17)13-19-16(21)14-6-10-18-11-7-14/h14,18H,2-13H2,1H3,(H,19,21).
What are the key properties of ethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate?
ethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate has a molecular weight of 310.44 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate is sourced from PubChem (CID 11220628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).