N-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide

C12H17N3O3 — CID 119343567

IUPACN-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)C2CCCCN2)o1
InChIInChI=1S/C12H17N3O3/c13-11(16)10-5-4-8(18-10)7-15-12(17)9-3-1-2-6-14-9/h4-5,9,14H,1-3,6-7H2,(H2,13,16)(H,15,17)
InChIKeyFWPLFDOKMULDLF-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.14
Rot. Bonds4

About N-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide

N-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide (PubChem CID 119343567) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide
PubChem CID119343567
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)C2CCCCN2)o1
InChIInChI=1S/C12H17N3O3/c13-11(16)10-5-4-8(18-10)7-15-12(17)9-3-1-2-6-14-9/h4-5,9,14H,1-3,6-7H2,(H2,13,16)(H,15,17)
InChIKeyFWPLFDOKMULDLF-UHFFFAOYSA-N
XLogP0.14
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 104914288
N-[(5-methylfuran-2-yl)methyl]azepane-2-carboxamide
CID 64571161
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
5-[(cyclohexylamino)methyl]furan-2-carboxamide
CID 115672619
(2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide
CID 106384933
(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 91645523
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119268706

Frequently Asked Questions

What is the IUPAC name of N-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide (CID 119343567) is N-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide is NC(=O)c1ccc(CNC(=O)C2CCCCN2)o1.
What is the InChIKey of N-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide?
The InChIKey is FWPLFDOKMULDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-11(16)10-5-4-8(18-10)7-15-12(17)9-3-1-2-6-14-9/h4-5,9,14H,1-3,6-7H2,(H2,13,16)(H,15,17).
What are the key properties of N-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide?
N-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 119343567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).