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

C21H27N3O2 — CID 100803350

IUPACN-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-3-26-18-10-7-16(8-11-18)21(25)23-17-9-12-20(19(22)14-17)24-13-5-4-6-15(24)2/h7-12,14-15H,3-6,13,22H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyQPOPPMBZIXQEBA-HNNXBMFYSA-N
MW353.47 g/mol
LogP4.30
Rot. Bonds5

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

N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide (PubChem CID 100803350) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide
PubChem CID100803350
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-3-26-18-10-7-16(8-11-18)21(25)23-17-9-12-20(19(22)14-17)24-13-5-4-6-15(24)2/h7-12,14-15H,3-6,13,22H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyQPOPPMBZIXQEBA-HNNXBMFYSA-N
XLogP4.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.30
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]-4-ethylbenzamide
CID 91676351
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide
CID 91676450
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide
CID 91676371
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
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide
CID 100803336
N-(3-amino-4-pyrrolidin-1-ylphenyl)-4-butoxybenzamide;N-methylmethanamine
CID 142931385
N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide
CID 100803316
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide
CID 100803206
N-(3-amino-4-chlorophenyl)-4-ethoxybenzamide
CID 18071163
(5aR)-N-(4-ethoxyphenyl)-5-methyl-12-oxo-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
CID 99749232

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide?
The IUPAC name of N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide (CID 100803350) is N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide?
The canonical SMILES for N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1.
What is the InChIKey of N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide?
The InChIKey is QPOPPMBZIXQEBA-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-26-18-10-7-16(8-11-18)21(25)23-17-9-12-20(19(22)14-17)24-13-5-4-6-15(24)2/h7-12,14-15H,3-6,13,22H2,1-2H3,(H,23,25)/t15-/m0/s1.
What are the key properties of N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide?
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide has a molecular weight of 353.47 g/mol, XLogP of 4.30, 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-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide is sourced from PubChem (CID 100803350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).