2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide

C16H21N5O2 — CID 122155584

IUPAC2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H21N5O2/c17-16(23)20-15(22)10-21-7-5-11(6-8-21)9-14-18-12-3-1-2-4-13(12)19-14/h1-4,11H,5-10H2,(H,18,19)(H3,17,20,22,23)
InChIKeyZPQDKUZURSFKRX-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.01
Rot. Bonds4

About 2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide

2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide (PubChem CID 122155584) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide
PubChem CID122155584
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H21N5O2/c17-16(23)20-15(22)10-21-7-5-11(6-8-21)9-14-18-12-3-1-2-4-13(12)19-14/h1-4,11H,5-10H2,(H,18,19)(H3,17,20,22,23)
InChIKeyZPQDKUZURSFKRX-UHFFFAOYSA-N
XLogP1.01
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid
CID 67434741
2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide
CID 133410842
4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 18378994
cis-(1R,2S)-2-[4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 167744160
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-cyclopentylacetamide
CID 16810435
2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 93242219
2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 22989602
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 128903538
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-cyclohexylacetamide
CID 16810436

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide?
The IUPAC name of 2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide (CID 122155584) is 2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide is NC(=O)NC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide?
The InChIKey is ZPQDKUZURSFKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c17-16(23)20-15(22)10-21-7-5-11(6-8-21)9-14-18-12-3-1-2-4-13(12)19-14/h1-4,11H,5-10H2,(H,18,19)(H3,17,20,22,23).
What are the key properties of 2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide?
2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide has a molecular weight of 315.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide is sourced from PubChem (CID 122155584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).