N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide

C21H28N4O3 — CID 121162767

IUPACN-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)N2CCC(Oc3ccnc(C)n3)CC2)cc1
InChIInChI=1S/C21H28N4O3/c1-3-4-15-27-18-7-5-17(6-8-18)24-21(26)25-13-10-19(11-14-25)28-20-9-12-22-16(2)23-20/h5-9,12,19H,3-4,10-11,13-15H2,1-2H3,(H,24,26)
InChIKeyZKPBNJRRFBXEOO-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.04
Rot. Bonds7

About N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide

N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 121162767) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID121162767
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)N2CCC(Oc3ccnc(C)n3)CC2)cc1
InChIInChI=1S/C21H28N4O3/c1-3-4-15-27-18-7-5-17(6-8-18)24-21(26)25-13-10-19(11-14-25)28-20-9-12-22-16(2)23-20/h5-9,12,19H,3-4,10-11,13-15H2,1-2H3,(H,24,26)
InChIKeyZKPBNJRRFBXEOO-UHFFFAOYSA-N
XLogP4.04
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide 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-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161062
N-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121162726
2-(4-ethoxyphenoxy)-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162479
N-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121162729
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
N-(4-ethoxyphenyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide
CID 90560057
N-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90636747
1-[4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 121162378
2-methoxy-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162400
N-(4-methoxyphenyl)-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559676
2-cyclopentyl-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162402
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone
CID 121162462

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide (CID 121162767) is N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide is CCCCOc1ccc(NC(=O)N2CCC(Oc3ccnc(C)n3)CC2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is ZKPBNJRRFBXEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-3-4-15-27-18-7-5-17(6-8-18)24-21(26)25-13-10-19(11-14-25)28-20-9-12-22-16(2)23-20/h5-9,12,19H,3-4,10-11,13-15H2,1-2H3,(H,24,26).
What are the key properties of N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 121162767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).