[4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

C20H32N4O2 — CID 146111055

IUPAC[4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESCCn1nc(C(=O)N2CCC(NC3CCC3)CC2)c2c1[C@H](C)O[C@H](C)C2
InChIInChI=1S/C20H32N4O2/c1-4-24-19-14(3)26-13(2)12-17(19)18(22-24)20(25)23-10-8-16(9-11-23)21-15-6-5-7-15/h13-16,21H,4-12H2,1-3H3/t13-,14+/m1/s1
InChIKeyXJJBVSAPKMPUTQ-KGLIPLIRSA-N
MW360.50 g/mol
LogP2.67
Rot. Bonds4

About [4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

[4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (PubChem CID 146111055) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is [4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
PubChem CID146111055
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name[4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESCCn1nc(C(=O)N2CCC(NC3CCC3)CC2)c2c1[C@H](C)O[C@H](C)C2
InChIInChI=1S/C20H32N4O2/c1-4-24-19-14(3)26-13(2)12-17(19)18(22-24)20(25)23-10-8-16(9-11-23)21-15-6-5-7-15/h13-16,21H,4-12H2,1-3H3/t13-,14+/m1/s1
InChIKeyXJJBVSAPKMPUTQ-KGLIPLIRSA-N
XLogP2.67
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The IUPAC name of [4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (CID 146111055) is [4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The canonical SMILES for [4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is CCn1nc(C(=O)N2CCC(NC3CCC3)CC2)c2c1[C@H](C)O[C@H](C)C2.
What is the InChIKey of [4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The InChIKey is XJJBVSAPKMPUTQ-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-4-24-19-14(3)26-13(2)12-17(19)18(22-24)20(25)23-10-8-16(9-11-23)21-15-6-5-7-15/h13-16,21H,4-12H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of [4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
[4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone has a molecular weight of 360.50 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is sourced from PubChem (CID 146111055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).