N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide

C22H29N3O2 — CID 91676443

IUPACN-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide
SMILESCC1CCN(c2ccc(NC(=O)c3cccc(OC(C)C)c3)cc2N)CC1
InChIInChI=1S/C22H29N3O2/c1-15(2)27-19-6-4-5-17(13-19)22(26)24-18-7-8-21(20(23)14-18)25-11-9-16(3)10-12-25/h4-8,13-16H,9-12,23H2,1-3H3,(H,24,26)
InChIKeyYJYSUYZSWBAXOQ-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.54
Rot. Bonds5

About N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide

N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide (PubChem CID 91676443) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide
PubChem CID91676443
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide
SMILESCC1CCN(c2ccc(NC(=O)c3cccc(OC(C)C)c3)cc2N)CC1
InChIInChI=1S/C22H29N3O2/c1-15(2)27-19-6-4-5-17(13-19)22(26)24-18-7-8-21(20(23)14-18)25-11-9-16(3)10-12-25/h4-8,13-16H,9-12,23H2,1-3H3,(H,24,26)
InChIKeyYJYSUYZSWBAXOQ-UHFFFAOYSA-N
XLogP4.54
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide
CID 91676368
N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 28688979
N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
CID 91676528
N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide
CID 79753661
3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109052369
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide
CID 21229720
N-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide
CID 28688985
3-propan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960500
N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91676338
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 91675880
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142671

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide (CID 91676443) is N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide is CC1CCN(c2ccc(NC(=O)c3cccc(OC(C)C)c3)cc2N)CC1.
What is the InChIKey of N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide?
The InChIKey is YJYSUYZSWBAXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15(2)27-19-6-4-5-17(13-19)22(26)24-18-7-8-21(20(23)14-18)25-11-9-16(3)10-12-25/h4-8,13-16H,9-12,23H2,1-3H3,(H,24,26).
What are the key properties of N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide?
N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide has a molecular weight of 367.49 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 91676443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).