1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide

C13H21N3O2 — CID 16794425

IUPAC1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc(C(N)CN2CCCC(C(N)=O)C2)o1
InChIInChI=1S/C13H21N3O2/c1-9-4-5-12(18-9)11(14)8-16-6-2-3-10(7-16)13(15)17/h4-5,10-11H,2-3,6-8,14H2,1H3,(H2,15,17)
InChIKeyJXPBCDFITBGPKI-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.79
Rot. Bonds4

About 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide

1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 16794425) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID16794425
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc(C(N)CN2CCCC(C(N)=O)C2)o1
InChIInChI=1S/C13H21N3O2/c1-9-4-5-12(18-9)11(14)8-16-6-2-3-10(7-16)13(15)17/h4-5,10-11H,2-3,6-8,14H2,1H3,(H2,15,17)
InChIKeyJXPBCDFITBGPKI-UHFFFAOYSA-N
XLogP0.79
TPSA85.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 16788275
(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129
(3S)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458131
2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid
CID 65443827
1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide
CID 23456665
1-[3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxamide
CID 44828082
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 63902043
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 66899395
1-[(3,4-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770442
1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 60699960
1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 75524212
(3R)-1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 58877777

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide (CID 16794425) is 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide is Cc1ccc(C(N)CN2CCCC(C(N)=O)C2)o1.
What is the InChIKey of 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is JXPBCDFITBGPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-4-5-12(18-9)11(14)8-16-6-2-3-10(7-16)13(15)17/h4-5,10-11H,2-3,6-8,14H2,1H3,(H2,15,17).
What are the key properties of 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide?
1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 16794425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).