1-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane

C17H28N4 — CID 97372577

IUPAC1-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCC3(CCCN3CC3CC3)CC2)cn1
InChIInChI=1S/C17H28N4/c1-19-12-16(11-18-19)13-20-9-6-17(7-10-20)5-2-8-21(17)14-15-3-4-15/h11-12,15H,2-10,13-14H2,1H3
InChIKeyALESVWIJRUBVLV-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.26
Rot. Bonds4

About 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane

1-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane (PubChem CID 97372577) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
PubChem CID97372577
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCC3(CCCN3CC3CC3)CC2)cn1
InChIInChI=1S/C17H28N4/c1-19-12-16(11-18-19)13-20-9-6-17(7-10-20)5-2-8-21(17)14-15-3-4-15/h11-12,15H,2-10,13-14H2,1H3
InChIKeyALESVWIJRUBVLV-UHFFFAOYSA-N
XLogP2.26
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane (CID 97372577) is 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane is Cn1cc(CN2CCC3(CCCN3CC3CC3)CC2)cn1.
What is the InChIKey of 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
The InChIKey is ALESVWIJRUBVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-19-12-16(11-18-19)13-20-9-6-17(7-10-20)5-2-8-21(17)14-15-3-4-15/h11-12,15H,2-10,13-14H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
1-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane has a molecular weight of 288.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97372577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).