4-amino-N-(1-benzyl-3-methoxypiperidin-4-yl)-5-cyano-2-methoxybenzamide

C22H26N4O3 — CID 19883490

IUPAC4-amino-N-(1-benzyl-3-methoxypiperidin-4-yl)-5-cyano-2-methoxybenzamide
SMILESCOc1cc(N)c(C#N)cc1C(=O)NC1CCN(Cc2ccccc2)CC1OC
InChIInChI=1S/C22H26N4O3/c1-28-20-11-18(24)16(12-23)10-17(20)22(27)25-19-8-9-26(14-21(19)29-2)13-15-6-4-3-5-7-15/h3-7,10-11,19,21H,8-9,13-14,24H2,1-2H3,(H,25,27)
InChIKeyGQLDHLFSLFMYRX-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.17
Rot. Bonds6

About 4-amino-N-(1-benzyl-3-methoxypiperidin-4-yl)-5-cyano-2-methoxybenzamide

4-amino-N-(1-benzyl-3-methoxypiperidin-4-yl)-5-cyano-2-methoxybenzamide (PubChem CID 19883490) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-amino-N-(1-benzyl-3-methoxypiperidin-4-yl)-5-cyano-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(1-benzyl-3-methoxypiperidin-4-yl)-5-cyano-2-methoxybenzamide
PubChem CID19883490
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name4-amino-N-(1-benzyl-3-methoxypiperidin-4-yl)-5-cyano-2-methoxybenzamide
SMILESCOc1cc(N)c(C#N)cc1C(=O)NC1CCN(Cc2ccccc2)CC1OC
InChIInChI=1S/C22H26N4O3/c1-28-20-11-18(24)16(12-23)10-17(20)22(27)25-19-8-9-26(14-21(19)29-2)13-15-6-4-3-5-7-15/h3-7,10-11,19,21H,8-9,13-14,24H2,1-2H3,(H,25,27)
InChIKeyGQLDHLFSLFMYRX-UHFFFAOYSA-N
XLogP2.17
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetic acid
CID 18545998
bis(4-amino-5-chloro-N-[1-[3-[(3-cyano-2-pyridinyl)amino]propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide);hydrate
CID 88606688
[(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid
CID 68520665
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethylcarbamic acid;hydrate
CID 70048632
4-amino-5-chloro-N-[(3R,4S)-1-(3-hydroxypropyl)-3-methoxypiperidin-4-yl]-2-methoxybenzamide
CID 142644081
4-amino-5-chloro-N-[1-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide;hydrate
CID 19994838
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
ethyl 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetate;hydrochloride
CID 18981915
2-[4-[[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetyl]amino]phenyl]acetic acid
CID 91063900
4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[(4-oxocyclohexyl)methyl]piperidin-4-yl]benzamide
CID 19994835
4-[(3R,4S)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl-methylcarbamic acid
CID 70047365
4-[2-[(3S,4R)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethylcarbamoyl]benzoate
CID 24781263

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzyl-3-methoxypiperidin-4-yl)-5-cyano-2-methoxybenzamide?
The IUPAC name of 4-amino-N-(1-benzyl-3-methoxypiperidin-4-yl)-5-cyano-2-methoxybenzamide (CID 19883490) is 4-amino-N-(1-benzyl-3-methoxypiperidin-4-yl)-5-cyano-2-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(1-benzyl-3-methoxypiperidin-4-yl)-5-cyano-2-methoxybenzamide?
The canonical SMILES for 4-amino-N-(1-benzyl-3-methoxypiperidin-4-yl)-5-cyano-2-methoxybenzamide is COc1cc(N)c(C#N)cc1C(=O)NC1CCN(Cc2ccccc2)CC1OC.
What is the InChIKey of 4-amino-N-(1-benzyl-3-methoxypiperidin-4-yl)-5-cyano-2-methoxybenzamide?
The InChIKey is GQLDHLFSLFMYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-28-20-11-18(24)16(12-23)10-17(20)22(27)25-19-8-9-26(14-21(19)29-2)13-15-6-4-3-5-7-15/h3-7,10-11,19,21H,8-9,13-14,24H2,1-2H3,(H,25,27).
What are the key properties of 4-amino-N-(1-benzyl-3-methoxypiperidin-4-yl)-5-cyano-2-methoxybenzamide?
4-amino-N-(1-benzyl-3-methoxypiperidin-4-yl)-5-cyano-2-methoxybenzamide has a molecular weight of 394.48 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzyl-3-methoxypiperidin-4-yl)-5-cyano-2-methoxybenzamide is sourced from PubChem (CID 19883490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).