N-[4-(1-butylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide

C18H25N3O2 — CID 57235984

IUPACN-[4-(1-butylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide
SMILESCCCCN1CCC(c2c[nH]c(NC(=O)c3ccoc3)c2)CC1
InChIInChI=1S/C18H25N3O2/c1-2-3-7-21-8-4-14(5-9-21)16-11-17(19-12-16)20-18(22)15-6-10-23-13-15/h6,10-14,19H,2-5,7-9H2,1H3,(H,20,22)
InChIKeyRRVVPSQABPZOJX-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.84
Rot. Bonds6

About N-[4-(1-butylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide

N-[4-(1-butylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide (PubChem CID 57235984) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[4-(1-butylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-butylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide
PubChem CID57235984
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[4-(1-butylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide
SMILESCCCCN1CCC(c2c[nH]c(NC(=O)c3ccoc3)c2)CC1
InChIInChI=1S/C18H25N3O2/c1-2-3-7-21-8-4-14(5-9-21)16-11-17(19-12-16)20-18(22)15-6-10-23-13-15/h6,10-14,19H,2-5,7-9H2,1H3,(H,20,22)
InChIKeyRRVVPSQABPZOJX-UHFFFAOYSA-N
XLogP3.84
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-butylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide?
The IUPAC name of N-[4-(1-butylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide (CID 57235984) is N-[4-(1-butylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[4-(1-butylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[4-(1-butylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide is CCCCN1CCC(c2c[nH]c(NC(=O)c3ccoc3)c2)CC1.
What is the InChIKey of N-[4-(1-butylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide?
The InChIKey is RRVVPSQABPZOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-3-7-21-8-4-14(5-9-21)16-11-17(19-12-16)20-18(22)15-6-10-23-13-15/h6,10-14,19H,2-5,7-9H2,1H3,(H,20,22).
What are the key properties of N-[4-(1-butylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide?
N-[4-(1-butylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-butylpiperidin-4-yl)-1H-pyrrol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 57235984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).