N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-phenylprop-2-ynamide

C23H24N4O2 — CID 44573597

IUPACN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C23H24N4O2/c28-22(11-10-18-6-2-1-3-7-18)24-14-17-26-15-12-19(13-16-26)27-21-9-5-4-8-20(21)25-23(27)29/h1-9,19H,12-17H2,(H,24,28)(H,25,29)
InChIKeyZCPAKJKFPGVKMN-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.13
Rot. Bonds4

About N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-phenylprop-2-ynamide

N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-phenylprop-2-ynamide (PubChem CID 44573597) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-phenylprop-2-ynamide
PubChem CID44573597
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C23H24N4O2/c28-22(11-10-18-6-2-1-3-7-18)24-14-17-26-15-12-19(13-16-26)27-21-9-5-4-8-20(21)25-23(27)29/h1-9,19H,12-17H2,(H,24,28)(H,25,29)
InChIKeyZCPAKJKFPGVKMN-UHFFFAOYSA-N
XLogP2.13
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-phenylprop-2-ynamide?
The IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-phenylprop-2-ynamide (CID 44573597) is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-phenylprop-2-ynamide?
The canonical SMILES for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-phenylprop-2-ynamide is O=C(C#Cc1ccccc1)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-phenylprop-2-ynamide?
The InChIKey is ZCPAKJKFPGVKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(11-10-18-6-2-1-3-7-18)24-14-17-26-15-12-19(13-16-26)27-21-9-5-4-8-20(21)25-23(27)29/h1-9,19H,12-17H2,(H,24,28)(H,25,29).
What are the key properties of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-phenylprop-2-ynamide?
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-phenylprop-2-ynamide has a molecular weight of 388.47 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-phenylprop-2-ynamide is sourced from PubChem (CID 44573597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).