N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide

C22H29N3O3 — CID 46522317

IUPACN-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C22H29N3O3/c26-21(12-7-13-23-22(27)18-9-3-1-4-10-18)24-17-19(20-11-8-16-28-20)25-14-5-2-6-15-25/h1,3-4,8-11,16,19H,2,5-7,12-15,17H2,(H,23,27)(H,24,26)
InChIKeyWVWQNLXZKHAQHW-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.13
Rot. Bonds9

About N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide

N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide (PubChem CID 46522317) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide
PubChem CID46522317
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C22H29N3O3/c26-21(12-7-13-23-22(27)18-9-3-1-4-10-18)24-17-19(20-11-8-16-28-20)25-14-5-2-6-15-25/h1,3-4,8-11,16,19H,2,5-7,12-15,17H2,(H,23,27)(H,24,26)
InChIKeyWVWQNLXZKHAQHW-UHFFFAOYSA-N
XLogP3.13
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
4-bromo-N-[3-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 26622015
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide
CID 51162656
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 55204450
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
3-acetamido-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110353373
4-tert-butyl-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 55347489
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide
CID 35354735
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide (CID 46522317) is N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccccc1)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide?
The InChIKey is WVWQNLXZKHAQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c26-21(12-7-13-23-22(27)18-9-3-1-4-10-18)24-17-19(20-11-8-16-28-20)25-14-5-2-6-15-25/h1,3-4,8-11,16,19H,2,5-7,12-15,17H2,(H,23,27)(H,24,26).
What are the key properties of N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide?
N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide has a molecular weight of 383.49 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 46522317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).