N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide

C22H29N3O — CID 91675434

IUPACN-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide
SMILESCC1CCN(c2ccc(N)cc2NC(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C22H29N3O/c1-15(2)17-4-6-18(7-5-17)22(26)24-20-14-19(23)8-9-21(20)25-12-10-16(3)11-13-25/h4-9,14-16H,10-13,23H2,1-3H3,(H,24,26)
InChIKeyXZEWVJHKLNDREF-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.88
Rot. Bonds4

About N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide

N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide (PubChem CID 91675434) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide
PubChem CID91675434
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide
SMILESCC1CCN(c2ccc(N)cc2NC(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C22H29N3O/c1-15(2)17-4-6-18(7-5-17)22(26)24-20-14-19(23)8-9-21(20)25-12-10-16(3)11-13-25/h4-9,14-16H,10-13,23H2,1-3H3,(H,24,26)
InChIKeyXZEWVJHKLNDREF-UHFFFAOYSA-N
XLogP4.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide 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-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide
CID 91675435
N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide
CID 18072371
N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide
CID 91675436
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-chlorobenzamide
CID 100803194
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide
CID 40604042
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 91675849
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 91675905
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 91675423
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide
CID 17102771
N-(5-amino-2-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91675430
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide
CID 100803206
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 91675880

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide (CID 91675434) is N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide is CC1CCN(c2ccc(N)cc2NC(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide?
The InChIKey is XZEWVJHKLNDREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-15(2)17-4-6-18(7-5-17)22(26)24-20-14-19(23)8-9-21(20)25-12-10-16(3)11-13-25/h4-9,14-16H,10-13,23H2,1-3H3,(H,24,26).
What are the key properties of N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide?
N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide has a molecular weight of 351.49 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 91675434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).