N-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide

C19H28N4O4 — CID 119480055

IUPACN-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)C2CCCCN2C(=O)c2ccco2)C1
InChIInChI=1S/C19H28N4O4/c20-8-9-21-17(24)14-5-3-10-22(13-14)18(25)15-6-1-2-11-23(15)19(26)16-7-4-12-27-16/h4,7,12,14-15H,1-3,5-6,8-11,13,20H2,(H,21,24)
InChIKeyIACLUSVXHWJGAT-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.59
Rot. Bonds5

About N-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide (PubChem CID 119480055) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide
PubChem CID119480055
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC NameN-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)C2CCCCN2C(=O)c2ccco2)C1
InChIInChI=1S/C19H28N4O4/c20-8-9-21-17(24)14-5-3-10-22(13-14)18(25)15-6-1-2-11-23(15)19(26)16-7-4-12-27-16/h4,7,12,14-15H,1-3,5-6,8-11,13,20H2,(H,21,24)
InChIKeyIACLUSVXHWJGAT-UHFFFAOYSA-N
XLogP0.59
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-[1-(furan-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119484214
N-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide
CID 119479743
N-(2-aminoethyl)-1-[1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 119480372
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
N-(2-aminoethyl)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxamide
CID 106688486
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 100850284
(3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32623768
(4-benzylpiperazin-1-yl)-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55973734
N-(2-aminoethyl)-1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119482070
N-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride
CID 119480750
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
(3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 32618175

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide (CID 119480055) is N-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)C2CCCCN2C(=O)c2ccco2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide?
The InChIKey is IACLUSVXHWJGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c20-8-9-21-17(24)14-5-3-10-22(13-14)18(25)15-6-1-2-11-23(15)19(26)16-7-4-12-27-16/h4,7,12,14-15H,1-3,5-6,8-11,13,20H2,(H,21,24).
What are the key properties of N-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 119480055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).