N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide

C22H29N3O4 — CID 24979386

IUPACN-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C22H29N3O4/c1-28-19-9-4-3-8-17(19)22(27)23-12-11-21(26)24-16-18(20-10-7-15-29-20)25-13-5-2-6-14-25/h3-4,7-10,15,18H,2,5-6,11-14,16H2,1H3,(H,23,27)(H,24,26)
InChIKeyGZLVKMPELYRJGO-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.75
Rot. Bonds9

About N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide

N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide (PubChem CID 24979386) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide
PubChem CID24979386
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C22H29N3O4/c1-28-19-9-4-3-8-17(19)22(27)23-12-11-21(26)24-16-18(20-10-7-15-29-20)25-13-5-2-6-14-25/h3-4,7-10,15,18H,2,5-6,11-14,16H2,1H3,(H,23,27)(H,24,26)
InChIKeyGZLVKMPELYRJGO-UHFFFAOYSA-N
XLogP2.75
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide?
The IUPAC name of N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide (CID 24979386) is N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCC(=O)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide?
The InChIKey is GZLVKMPELYRJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-28-19-9-4-3-8-17(19)22(27)23-12-11-21(26)24-16-18(20-10-7-15-29-20)25-13-5-2-6-14-25/h3-4,7-10,15,18H,2,5-6,11-14,16H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide?
N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide has a molecular weight of 399.49 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide is sourced from PubChem (CID 24979386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).