N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide

C16H25N3O2 — CID 63257535

IUPACN-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(C2CCCN2)CC1)NCc1ccco1
InChIInChI=1S/C16H25N3O2/c20-16(18-11-14-3-2-10-21-14)12-19-8-5-13(6-9-19)15-4-1-7-17-15/h2-3,10,13,15,17H,1,4-9,11-12H2,(H,18,20)
InChIKeyMLBOWEXPMMBBLK-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.36
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide

N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide (PubChem CID 63257535) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
PubChem CID63257535
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(C2CCCN2)CC1)NCc1ccco1
InChIInChI=1S/C16H25N3O2/c20-16(18-11-14-3-2-10-21-14)12-19-8-5-13(6-9-19)15-4-1-7-17-15/h2-3,10,13,15,17H,1,4-9,11-12H2,(H,18,20)
InChIKeyMLBOWEXPMMBBLK-UHFFFAOYSA-N
XLogP1.36
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 43162513
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657241
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
2-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 6468198
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 1437976
ethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 8772796
N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62274448

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide (CID 63257535) is N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide is O=C(CN1CCC(C2CCCN2)CC1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
The InChIKey is MLBOWEXPMMBBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c20-16(18-11-14-3-2-10-21-14)12-19-8-5-13(6-9-19)15-4-1-7-17-15/h2-3,10,13,15,17H,1,4-9,11-12H2,(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 63257535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).