N-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C23H37N3O2 — CID 127036362

IUPACN-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCC(C)CN1CCC(NC(=O)c2ccc(OC3CCN(C(C)C)CC3)cc2)C1
InChIInChI=1S/C23H37N3O2/c1-17(2)15-25-12-9-20(16-25)24-23(27)19-5-7-21(8-6-19)28-22-10-13-26(14-11-22)18(3)4/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,24,27)
InChIKeyKXDNVFJLTNVAQD-UHFFFAOYSA-N
MW387.57 g/mol
LogP3.40
Rot. Bonds7

About N-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

N-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 127036362) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID127036362
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC NameN-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCC(C)CN1CCC(NC(=O)c2ccc(OC3CCN(C(C)C)CC3)cc2)C1
InChIInChI=1S/C23H37N3O2/c1-17(2)15-25-12-9-20(16-25)24-23(27)19-5-7-21(8-6-19)28-22-10-13-26(14-11-22)18(3)4/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,24,27)
InChIKeyKXDNVFJLTNVAQD-UHFFFAOYSA-N
XLogP3.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide 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

4-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 127036360
N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane
CID 160587911
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 168882317
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335
3,4-dichloro-N-[1-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]benzamide
CID 44568309
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43728511
N-cyclopentyl-4-(3-methylbutoxy)benzamide
CID 4948351
4-(ethylsulfamoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 24543001
N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 45207748
(4-propan-2-ylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69070920

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 127036362) is N-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is CC(C)CN1CCC(NC(=O)c2ccc(OC3CCN(C(C)C)CC3)cc2)C1.
What is the InChIKey of N-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is KXDNVFJLTNVAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-17(2)15-25-12-9-20(16-25)24-23(27)19-5-7-21(8-6-19)28-22-10-13-26(14-11-22)18(3)4/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,24,27).
What are the key properties of N-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
N-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 387.57 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 127036362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).