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

C16H24N4O4 — CID 119479743

IUPACN-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)CCNC(=O)c2ccco2)C1
InChIInChI=1S/C16H24N4O4/c17-6-8-19-15(22)12-3-1-9-20(11-12)14(21)5-7-18-16(23)13-4-2-10-24-13/h2,4,10,12H,1,3,5-9,11,17H2,(H,18,23)(H,19,22)
InChIKeySGGBNDNLRXAZNC-UHFFFAOYSA-N
MW336.39 g/mol
LogP-0.29
Rot. Bonds7

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

N-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide (PubChem CID 119479743) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide
PubChem CID119479743
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC NameN-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)CCNC(=O)c2ccco2)C1
InChIInChI=1S/C16H24N4O4/c17-6-8-19-15(22)12-3-1-9-20(11-12)14(21)5-7-18-16(23)13-4-2-10-24-13/h2,4,10,12H,1,3,5-9,11,17H2,(H,18,23)(H,19,22)
InChIKeySGGBNDNLRXAZNC-UHFFFAOYSA-N
XLogP-0.29
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide
CID 55883255
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 43403339
N-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide
CID 119480055
N-(2-aminoethyl)-1-[3-(2-fluorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide
CID 119480930
1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid
CID 43171014
N-(2-aminoethyl)-1-[3-(4-chlorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479751
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide
CID 119479232
N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide
CID 119482155
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479231
N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
CID 119480053
N-(2-aminoethyl)-1-[3-(benzenesulfonamido)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119481380
N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide
CID 63251976

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide (CID 119479743) is N-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)CCNC(=O)c2ccco2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide?
The InChIKey is SGGBNDNLRXAZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c17-6-8-19-15(22)12-3-1-9-20(11-12)14(21)5-7-18-16(23)13-4-2-10-24-13/h2,4,10,12H,1,3,5-9,11,17H2,(H,18,23)(H,19,22).
What are the key properties of N-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of -0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 119479743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).