N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C17H29N5O2 — CID 56884099

IUPACN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)C1CC2(CCNCC2)CN1
InChIInChI=1S/C17H29N5O2/c1-21-11-14(10-20-21)12-22(7-8-24-2)16(23)15-9-17(13-19-15)3-5-18-6-4-17/h10-11,15,18-19H,3-9,12-13H2,1-2H3
InChIKeyAMERCTCEOHKBQR-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.13
Rot. Bonds6

About N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56884099) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56884099
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)C1CC2(CCNCC2)CN1
InChIInChI=1S/C17H29N5O2/c1-21-11-14(10-20-21)12-22(7-8-24-2)16(23)15-9-17(13-19-15)3-5-18-6-4-17/h10-11,15,18-19H,3-9,12-13H2,1-2H3
InChIKeyAMERCTCEOHKBQR-UHFFFAOYSA-N
XLogP0.13
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56884099) is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is COCCN(Cc1cnn(C)c1)C(=O)C1CC2(CCNCC2)CN1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is AMERCTCEOHKBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-21-11-14(10-20-21)12-22(7-8-24-2)16(23)15-9-17(13-19-15)3-5-18-6-4-17/h10-11,15,18-19H,3-9,12-13H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56884099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).