4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide

C21H34N4O2 — CID 20689433

IUPAC4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide
SMILESCOc1cc(N)c(C)cc1C(=O)NC1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C21H34N4O2/c1-15-12-18(20(27-3)13-19(15)22)21(26)23-17-6-10-25(11-7-17)14-16-4-8-24(2)9-5-16/h12-13,16-17H,4-11,14,22H2,1-3H3,(H,23,26)
InChIKeyYRYVDSZUDGUBAB-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.12
Rot. Bonds5

About 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide

4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide (PubChem CID 20689433) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide
PubChem CID20689433
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide
SMILESCOc1cc(N)c(C)cc1C(=O)NC1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C21H34N4O2/c1-15-12-18(20(27-3)13-19(15)22)21(26)23-17-6-10-25(11-7-17)14-16-4-8-24(2)9-5-16/h12-13,16-17H,4-11,14,22H2,1-3H3,(H,23,26)
InChIKeyYRYVDSZUDGUBAB-UHFFFAOYSA-N
XLogP2.12
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide;4-amino-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 91108564
4-amino-5-bromo-N-[1-[(1-but-2-ynoylpiperidin-4-yl)methyl]piperidin-4-yl]-2-methoxybenzamide
CID 11454663
4-amino-5-chloro-N-[1-[[1-[3-(dimethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide
CID 139786710
4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide
CID 139786696
4-amino-5-chloro-N-[1-[[1-(dimethylcarbamothioyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide
CID 10205298
4-amino-5-chloro-2-methoxy-N-[1-[[1-(oxolane-2-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]benzamide
CID 23434014
2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 115950482
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate
CID 110761607
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide
CID 24848457
N-[1-(cyclopropylmethyl)azepan-3-yl]-6-methoxy-1-methylbenzotriazole-5-carboxamide
CID 21223400

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide (CID 20689433) is 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide is COc1cc(N)c(C)cc1C(=O)NC1CCN(CC2CCN(C)CC2)CC1.
What is the InChIKey of 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide?
The InChIKey is YRYVDSZUDGUBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-15-12-18(20(27-3)13-19(15)22)21(26)23-17-6-10-25(11-7-17)14-16-4-8-24(2)9-5-16/h12-13,16-17H,4-11,14,22H2,1-3H3,(H,23,26).
What are the key properties of 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide?
4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide has a molecular weight of 374.53 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 20689433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).