N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide

C23H26ClN3O2 — CID 53145965

IUPACN-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1N1CCCCC1
InChIInChI=1S/C23H26ClN3O2/c24-18-6-4-5-16(13-18)15-25-23(29)20-10-9-19(26-22(28)17-7-8-17)14-21(20)27-11-2-1-3-12-27/h4-6,9-10,13-14,17H,1-3,7-8,11-12,15H2,(H,25,29)(H,26,28)
InChIKeyPXRFIYAZLRMHGB-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.61
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide

N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide (PubChem CID 53145965) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide
PubChem CID53145965
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC NameN-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1N1CCCCC1
InChIInChI=1S/C23H26ClN3O2/c24-18-6-4-5-16(13-18)15-25-23(29)20-10-9-19(26-22(28)17-7-8-17)14-21(20)27-11-2-1-3-12-27/h4-6,9-10,13-14,17H,1-3,7-8,11-12,15H2,(H,25,29)(H,26,28)
InChIKeyPXRFIYAZLRMHGB-UHFFFAOYSA-N
XLogP4.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide (CID 53145965) is N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide is O=C(NCc1cccc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1N1CCCCC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide?
The InChIKey is PXRFIYAZLRMHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c24-18-6-4-5-16(13-18)15-25-23(29)20-10-9-19(26-22(28)17-7-8-17)14-21(20)27-11-2-1-3-12-27/h4-6,9-10,13-14,17H,1-3,7-8,11-12,15H2,(H,25,29)(H,26,28).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide?
N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide has a molecular weight of 411.93 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 53145965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).