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

C22H29N3O2 — CID 91676450

IUPACN-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(N3CCCCC3C)c(N)c2)c1
InChIInChI=1S/C22H29N3O2/c1-3-13-27-19-9-6-8-17(14-19)22(26)24-18-10-11-21(20(23)15-18)25-12-5-4-7-16(25)2/h6,8-11,14-16H,3-5,7,12-13,23H2,1-2H3,(H,24,26)
InChIKeyWLUUIQWYNSTBKM-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.69
Rot. Bonds6

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

N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide (PubChem CID 91676450) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide
PubChem CID91676450
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(N3CCCCC3C)c(N)c2)c1
InChIInChI=1S/C22H29N3O2/c1-3-13-27-19-9-6-8-17(14-19)22(26)24-18-10-11-21(20(23)15-18)25-12-5-4-7-16(25)2/h6,8-11,14-16H,3-5,7,12-13,23H2,1-2H3,(H,24,26)
InChIKeyWLUUIQWYNSTBKM-UHFFFAOYSA-N
XLogP4.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide
CID 91676371
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide
CID 100803350
N-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide
CID 28688985
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide
CID 91676351
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
CID 91676104
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 100803366
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide
CID 100803273
3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 26161679
N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
CID 2894189
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide
CID 100803336
N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide
CID 100803316
2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide
CID 17188531

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide?
The IUPAC name of N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide (CID 91676450) is N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide.
What is the SMILES notation for N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide?
The canonical SMILES for N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc(N3CCCCC3C)c(N)c2)c1.
What is the InChIKey of N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide?
The InChIKey is WLUUIQWYNSTBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-13-27-19-9-6-8-17(14-19)22(26)24-18-10-11-21(20(23)15-18)25-12-5-4-7-16(25)2/h6,8-11,14-16H,3-5,7,12-13,23H2,1-2H3,(H,24,26).
What are the key properties of N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide?
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide has a molecular weight of 367.49 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide is sourced from PubChem (CID 91676450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).