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

C27H35ClN4O3 — CID 3044764

IUPACN-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxy-4-[(2-piperidin-1-ylacetyl)amino]benzamide
SMILESCOc1cc(NC(=O)CN2CCCCC2)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H35ClN4O3/c1-35-25-17-24(30-26(33)19-31-12-6-3-7-13-31)23(28)16-22(25)27(34)29-21-10-14-32(15-11-21)18-20-8-4-2-5-9-20/h2,4-5,8-9,16-17,21H,3,6-7,10-15,18-19H2,1H3,(H,29,34)(H,30,33)
InChIKeyBJDULWCOGWBITL-UHFFFAOYSA-N
MW499.06 g/mol
LogP4.17
Rot. Bonds8

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

N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxy-4-[(2-piperidin-1-ylacetyl)amino]benzamide (PubChem CID 3044764) has the molecular formula C27H35ClN4O3 and a molecular weight of 499.06 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxy-4-[(2-piperidin-1-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxy-4-[(2-piperidin-1-ylacetyl)amino]benzamide
PubChem CID3044764
Molecular FormulaC27H35ClN4O3
Molecular Weight499.06 g/mol
Exact Mass498.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxy-4-[(2-piperidin-1-ylacetyl)amino]benzamide
SMILESCOc1cc(NC(=O)CN2CCCCC2)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H35ClN4O3/c1-35-25-17-24(30-26(33)19-31-12-6-3-7-13-31)23(28)16-22(25)27(34)29-21-10-14-32(15-11-21)18-20-8-4-2-5-9-20/h2,4-5,8-9,16-17,21H,3,6-7,10-15,18-19H2,1H3,(H,29,34)(H,30,33)
InChIKeyBJDULWCOGWBITL-UHFFFAOYSA-N
XLogP4.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.06
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzamido-N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-2-methoxybenzamide
CID 10623982
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CID 10836365
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
5-chloro-4-(cyclopropanecarbonylamino)-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-2-methoxybenzamide
CID 139674673
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide
CID 58730731
N-(1-benzylpyrrolidin-3-yl)-4-(cyclopropanecarbonylamino)-5-iodo-2-methoxybenzamide
CID 70269256
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
5-chloro-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-2-methoxy-4-(propanoylamino)benzamide
CID 139674623
N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide
CID 15167711
N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride
CID 53352634
4-acetamido-N-[(3S,5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]-5-chloro-2-methoxybenzamide
CID 11729708
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxy-4-[(2-piperidin-1-ylacetyl)amino]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxy-4-[(2-piperidin-1-ylacetyl)amino]benzamide (CID 3044764) is N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxy-4-[(2-piperidin-1-ylacetyl)amino]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxy-4-[(2-piperidin-1-ylacetyl)amino]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxy-4-[(2-piperidin-1-ylacetyl)amino]benzamide is COc1cc(NC(=O)CN2CCCCC2)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxy-4-[(2-piperidin-1-ylacetyl)amino]benzamide?
The InChIKey is BJDULWCOGWBITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN4O3/c1-35-25-17-24(30-26(33)19-31-12-6-3-7-13-31)23(28)16-22(25)27(34)29-21-10-14-32(15-11-21)18-20-8-4-2-5-9-20/h2,4-5,8-9,16-17,21H,3,6-7,10-15,18-19H2,1H3,(H,29,34)(H,30,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxy-4-[(2-piperidin-1-ylacetyl)amino]benzamide?
N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxy-4-[(2-piperidin-1-ylacetyl)amino]benzamide has a molecular weight of 499.06 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxy-4-[(2-piperidin-1-ylacetyl)amino]benzamide is sourced from PubChem (CID 3044764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).