2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-1-piperidin-1-ylethanone

C14H24N4O — CID 164529429

IUPAC2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-1-piperidin-1-ylethanone
SMILESO=C(CNC1=N[C@@H]2CCCC[C@@H]2N1)N1CCCCC1
InChIInChI=1S/C14H24N4O/c19-13(18-8-4-1-5-9-18)10-15-14-16-11-6-2-3-7-12(11)17-14/h11-12H,1-10H2,(H2,15,16,17)/t11-,12+
InChIKeySQFZKVHOWCMDQJ-TXEJJXNPSA-N
MW264.37 g/mol
LogP0.86
Rot. Bonds2

About 2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-1-piperidin-1-ylethanone

2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-1-piperidin-1-ylethanone (PubChem CID 164529429) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-1-piperidin-1-ylethanone
PubChem CID164529429
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-1-piperidin-1-ylethanone
SMILESO=C(CNC1=N[C@@H]2CCCC[C@@H]2N1)N1CCCCC1
InChIInChI=1S/C14H24N4O/c19-13(18-8-4-1-5-9-18)10-15-14-16-11-6-2-3-7-12(11)17-14/h11-12H,1-10H2,(H2,15,16,17)/t11-,12+
InChIKeySQFZKVHOWCMDQJ-TXEJJXNPSA-N
XLogP0.86
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-1-piperidin-1-ylethanone (CID 164529429) is 2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-1-piperidin-1-ylethanone is O=C(CNC1=N[C@@H]2CCCC[C@@H]2N1)N1CCCCC1.
What is the InChIKey of 2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-1-piperidin-1-ylethanone?
The InChIKey is SQFZKVHOWCMDQJ-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H24N4O/c19-13(18-8-4-1-5-9-18)10-15-14-16-11-6-2-3-7-12(11)17-14/h11-12H,1-10H2,(H2,15,16,17)/t11-,12+.
What are the key properties of 2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-1-piperidin-1-ylethanone?
2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-1-piperidin-1-ylethanone has a molecular weight of 264.37 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 164529429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).