4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide

C24H40ClN5O2 — CID 139786696

IUPAC4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide
SMILESCCNCCCN1CCC(CN2CCC(NC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
InChIInChI=1S/C24H40ClN5O2/c1-3-27-9-4-10-29-11-5-18(6-12-29)17-30-13-7-19(8-14-30)28-24(31)20-15-21(25)22(26)16-23(20)32-2/h15-16,18-19,27H,3-14,17,26H2,1-2H3,(H,28,31)
InChIKeyNMMDPNCUPBZLAN-UHFFFAOYSA-N
MW466.07 g/mol
LogP2.84
Rot. Bonds10

About 4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide

4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide (PubChem CID 139786696) has the molecular formula C24H40ClN5O2 and a molecular weight of 466.07 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide
PubChem CID139786696
Molecular FormulaC24H40ClN5O2
Molecular Weight466.07 g/mol
Exact Mass465.29
IUPAC Name4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide
SMILESCCNCCCN1CCC(CN2CCC(NC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
InChIInChI=1S/C24H40ClN5O2/c1-3-27-9-4-10-29-11-5-18(6-12-29)17-30-13-7-19(8-14-30)28-24(31)20-15-21(25)22(26)16-23(20)32-2/h15-16,18-19,27H,3-14,17,26H2,1-2H3,(H,28,31)
InChIKeyNMMDPNCUPBZLAN-UHFFFAOYSA-N
XLogP2.84
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.07
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-(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
4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide
CID 20689433
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid
CID 22080716
4-amino-5-chloro-N-[1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-yl]-2-methoxybenzamide;hydrate;hydrochloride
CID 70607387
4-amino-5-chloro-N-[[1-[6-(diethylamino)hexyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 54117469
4-amino-5-chloro-2-methoxy-N-[[1-[3-(methylcarbamothioylamino)propyl]pyrrolidin-3-yl]methyl]benzamide
CID 54217784
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
4-amino-5-chloro-N-[1-(cyclohexylmethyl)-3-methylpiperidin-4-yl]-2-methoxybenzamide
CID 15572448
4-amino-N-[[1-(4-benzylsulfonylbutyl)piperidin-4-yl]methyl]-5-chloro-2-methoxybenzamide
CID 54165330

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide (CID 139786696) is 4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide is CCNCCCN1CCC(CN2CCC(NC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1.
What is the InChIKey of 4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide?
The InChIKey is NMMDPNCUPBZLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40ClN5O2/c1-3-27-9-4-10-29-11-5-18(6-12-29)17-30-13-7-19(8-14-30)28-24(31)20-15-21(25)22(26)16-23(20)32-2/h15-16,18-19,27H,3-14,17,26H2,1-2H3,(H,28,31).
What are the key properties of 4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide?
4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide has a molecular weight of 466.07 g/mol, XLogP of 2.84, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 139786696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).