(5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane

C16H28N4 — CID 164639357

IUPAC(5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCC(C)n1cc(CN2CC[C@@]3(CCCN(C)C3)C2)cn1
InChIInChI=1S/C16H28N4/c1-14(2)20-11-15(9-17-20)10-19-8-6-16(13-19)5-4-7-18(3)12-16/h9,11,14H,4-8,10,12-13H2,1-3H3/t16-/m1/s1
InChIKeyKLPMBBGUJITCOF-MRXNPFEDSA-N
MW276.43 g/mol
LogP2.38
Rot. Bonds3

About (5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane

(5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 164639357) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is (5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID164639357
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name(5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCC(C)n1cc(CN2CC[C@@]3(CCCN(C)C3)C2)cn1
InChIInChI=1S/C16H28N4/c1-14(2)20-11-15(9-17-20)10-19-8-6-16(13-19)5-4-7-18(3)12-16/h9,11,14H,4-8,10,12-13H2,1-3H3/t16-/m1/s1
InChIKeyKLPMBBGUJITCOF-MRXNPFEDSA-N
XLogP2.38
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane (CID 164639357) is (5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane is CC(C)n1cc(CN2CC[C@@]3(CCCN(C)C3)C2)cn1.
What is the InChIKey of (5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is KLPMBBGUJITCOF-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H28N4/c1-14(2)20-11-15(9-17-20)10-19-8-6-16(13-19)5-4-7-18(3)12-16/h9,11,14H,4-8,10,12-13H2,1-3H3/t16-/m1/s1.
What are the key properties of (5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
(5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 276.43 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 164639357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).