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

C20H27ClN4O2 — CID 53472864

IUPAC4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccn2C)CC1
InChIInChI=1S/C20H27ClN4O2/c1-24-7-3-4-15(24)13-25-8-5-14(6-9-25)12-23-20(26)16-10-17(21)18(22)11-19(16)27-2/h3-4,7,10-11,14H,5-6,8-9,12-13,22H2,1-2H3,(H,23,26)
InChIKeySLPBYWRCHKGLEO-UHFFFAOYSA-N
MW390.92 g/mol
LogP2.91
Rot. Bonds6

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

4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzamide (PubChem CID 53472864) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzamide
PubChem CID53472864
Molecular FormulaC20H27ClN4O2
Molecular Weight390.92 g/mol
Exact Mass390.18
IUPAC Name4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccn2C)CC1
InChIInChI=1S/C20H27ClN4O2/c1-24-7-3-4-15(24)13-25-8-5-14(6-9-25)12-23-20(26)16-10-17(21)18(22)11-19(16)27-2/h3-4,7,10-11,14H,5-6,8-9,12-13,22H2,1-2H3,(H,23,26)
InChIKeySLPBYWRCHKGLEO-UHFFFAOYSA-N
XLogP2.91
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 52.91
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

Da-6886
CID 54575171
1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one
CID 134828069
1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one
CID 134828071
4-amino-5-chloro-N-[1-[8-[2-(1H-indol-3-yl)ethyl-methylamino]octyl]piperidin-4-yl]-2-methoxybenzamide
CID 44248186
5-chloro-N-(2-chloropyridin-3-yl)-2-methoxybenzamide
CID 3154652
3-{2-[5-Chloro-2-(benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-N-(pyridin-2-ylmethyl)-benzamide
CID 10051975
4-{2-[5-Chloro-2-(benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-N-(pyridin-2-ylmethyl)-benzamide
CID 44432348
4-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 44432350
4-{2-[5-Chloro-2-(benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-N-(pyridin-4-ylmethyl)-benzamide
CID 44432353
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]benzamide
CID 68592484
5-chloro-2-methoxy-N-pyridin-4-ylbenzamide
CID 868972
4-amino-5-chloro-N-[[1-(3-indol-1-ylpropyl)piperidin-4-yl]methyl]-2-methoxybenzamide
CID 54575167

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzamide (CID 53472864) is 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzamide is COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccn2C)CC1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is SLPBYWRCHKGLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O2/c1-24-7-3-4-15(24)13-25-8-5-14(6-9-25)12-23-20(26)16-10-17(21)18(22)11-19(16)27-2/h3-4,7,10-11,14H,5-6,8-9,12-13,22H2,1-2H3,(H,23,26).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzamide?
4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 390.92 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 53472864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).