propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate

C16H22N4O2 — CID 14751342

IUPACpropan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H22N4O2/c1-11(2)22-16(21)20-9-7-12(8-10-20)17-15-18-13-5-3-4-6-14(13)19-15/h3-6,11-12H,7-10H2,1-2H3,(H2,17,18,19)
InChIKeyYUOVMSQSHAMIKX-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.98
Rot. Bonds3

About propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate

propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate (PubChem CID 14751342) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
PubChem CID14751342
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Namepropan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H22N4O2/c1-11(2)22-16(21)20-9-7-12(8-10-20)17-15-18-13-5-3-4-6-14(13)19-15/h3-6,11-12H,7-10H2,1-2H3,(H2,17,18,19)
InChIKeyYUOVMSQSHAMIKX-UHFFFAOYSA-N
XLogP2.98
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate (CID 14751342) is propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(Nc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate?
The InChIKey is YUOVMSQSHAMIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)22-16(21)20-9-7-12(8-10-20)17-15-18-13-5-3-4-6-14(13)19-15/h3-6,11-12H,7-10H2,1-2H3,(H2,17,18,19).
What are the key properties of propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate?
propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate has a molecular weight of 302.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 14751342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).