ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate

C14H25N3O3 — CID 64822043

IUPACethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)C2CCCC2N)C1
InChIInChI=1S/C14H25N3O3/c1-2-20-14(19)16-10-5-4-8-17(9-10)13(18)11-6-3-7-12(11)15/h10-12H,2-9,15H2,1H3,(H,16,19)
InChIKeyXUPOIAPIFOEIAP-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.85
Rot. Bonds3

About ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate

ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate (PubChem CID 64822043) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate
PubChem CID64822043
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nameethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)C2CCCC2N)C1
InChIInChI=1S/C14H25N3O3/c1-2-20-14(19)16-10-5-4-8-17(9-10)13(18)11-6-3-7-12(11)15/h10-12H,2-9,15H2,1H3,(H,16,19)
InChIKeyXUPOIAPIFOEIAP-UHFFFAOYSA-N
XLogP0.85
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate
CID 94183634
ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
ethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate
CID 95293945
[(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone
CID 124683875
ethyl N-[1-(2-bromopropanoyl)piperidin-3-yl]carbamate
CID 107904566
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299
ethyl N-[1-(2-chloropropanoyl)piperidin-3-yl]carbamate
CID 54876025
ethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate
CID 60962909
ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate
CID 65269908
ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate
CID 79473770
ethyl N-[(3R)-1-[(1R,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate
CID 124742483
2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 61066497

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate (CID 64822043) is ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)C2CCCC2N)C1.
What is the InChIKey of ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate?
The InChIKey is XUPOIAPIFOEIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-20-14(19)16-10-5-4-8-17(9-10)13(18)11-6-3-7-12(11)15/h10-12H,2-9,15H2,1H3,(H,16,19).
What are the key properties of ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate?
ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate has a molecular weight of 283.37 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 64822043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).