1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

C12H19N5O2 — CID 106967817

IUPAC1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nnc(CNC3CC3)o2)CC1
InChIInChI=1S/C12H19N5O2/c13-11(18)8-3-5-17(6-4-8)12-16-15-10(19-12)7-14-9-1-2-9/h8-9,14H,1-7H2,(H2,13,18)
InChIKeyOXXYUKRUIJEQHR-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.02
Rot. Bonds5

About 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 106967817) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID106967817
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nnc(CNC3CC3)o2)CC1
InChIInChI=1S/C12H19N5O2/c13-11(18)8-3-5-17(6-4-8)12-16-15-10(19-12)7-14-9-1-2-9/h8-9,14H,1-7H2,(H2,13,18)
InChIKeyOXXYUKRUIJEQHR-UHFFFAOYSA-N
XLogP0.02
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106960974
N-[[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106962402
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106963915
1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide
CID 106959892
N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106967395
N-[[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 107460430
2-[1-[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide
CID 106960185
N-[[5-(4-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106967471
N-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106967827
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106969451
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965695
1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-ol
CID 106967902

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 106967817) is 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nnc(CNC3CC3)o2)CC1.
What is the InChIKey of 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is OXXYUKRUIJEQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c13-11(18)8-3-5-17(6-4-8)12-16-15-10(19-12)7-14-9-1-2-9/h8-9,14H,1-7H2,(H2,13,18).
What are the key properties of 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 106967817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).