N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide

C16H23N3O3 — CID 163345083

IUPACN-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide
SMILESO=C(CN1CCCC(NC(=O)C2CC2)C1)NCc1ccco1
InChIInChI=1S/C16H23N3O3/c20-15(17-9-14-4-2-8-22-14)11-19-7-1-3-13(10-19)18-16(21)12-5-6-12/h2,4,8,12-13H,1,3,5-7,9-11H2,(H,17,20)(H,18,21)
InChIKeyYKQFHZSQLVBOTB-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.89
Rot. Bonds6

About N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide

N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 163345083) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide
PubChem CID163345083
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide
SMILESO=C(CN1CCCC(NC(=O)C2CC2)C1)NCc1ccco1
InChIInChI=1S/C16H23N3O3/c20-15(17-9-14-4-2-8-22-14)11-19-7-1-3-13(10-19)18-16(21)12-5-6-12/h2,4,8,12-13H,1,3,5-7,9-11H2,(H,17,20)(H,18,21)
InChIKeyYKQFHZSQLVBOTB-UHFFFAOYSA-N
XLogP0.89
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
ethyl (3R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 26496028
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
2-(3-aminopiperidin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 61295561
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 43162513
N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 60548387
2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 93237874
2-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 95331816
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide (CID 163345083) is N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide is O=C(CN1CCCC(NC(=O)C2CC2)C1)NCc1ccco1.
What is the InChIKey of N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is YKQFHZSQLVBOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-15(17-9-14-4-2-8-22-14)11-19-7-1-3-13(10-19)18-16(21)12-5-6-12/h2,4,8,12-13H,1,3,5-7,9-11H2,(H,17,20)(H,18,21).
What are the key properties of N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide?
N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 163345083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).