2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C24H29N5O — CID 1436961

IUPAC2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C24H29N5O/c30-23(25-19-7-9-20(10-8-19)29-13-3-4-14-29)17-28-15-11-18(12-16-28)24-26-21-5-1-2-6-22(21)27-24/h1-2,5-10,18H,3-4,11-17H2,(H,25,30)(H,26,27)
InChIKeyBNLQOPBEZCZKFT-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.98
Rot. Bonds5

About 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 1436961) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID1436961
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C24H29N5O/c30-23(25-19-7-9-20(10-8-19)29-13-3-4-14-29)17-28-15-11-18(12-16-28)24-26-21-5-1-2-6-22(21)27-24/h1-2,5-10,18H,3-4,11-17H2,(H,25,30)(H,26,27)
InChIKeyBNLQOPBEZCZKFT-UHFFFAOYSA-N
XLogP3.98
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1429947
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-cyclopentylacetamide
CID 16810435
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-cyclohexylacetamide
CID 16810436
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 1436952
2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 55498493
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16810440
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1453375
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 1453163
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 3223449
methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate
CID 8591015

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 1436961) is 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is BNLQOPBEZCZKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c30-23(25-19-7-9-20(10-8-19)29-13-3-4-14-29)17-28-15-11-18(12-16-28)24-26-21-5-1-2-6-22(21)27-24/h1-2,5-10,18H,3-4,11-17H2,(H,25,30)(H,26,27).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 403.53 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 1436961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).