N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide

C16H27N5O — CID 118745374

IUPACN,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCN(C)C(=O)N1CCC2(CCCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C16H27N5O/c1-18(2)15(22)21-8-6-16(13-21)5-4-7-20(12-16)11-14-9-17-19(3)10-14/h9-10H,4-8,11-13H2,1-3H3
InChIKeyNXBRMDMDKJJSQR-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.39
Rot. Bonds2

About N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide

N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 118745374) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID118745374
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCN(C)C(=O)N1CCC2(CCCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C16H27N5O/c1-18(2)15(22)21-8-6-16(13-21)5-4-7-20(12-16)11-14-9-17-19(3)10-14/h9-10H,4-8,11-13H2,1-3H3
InChIKeyNXBRMDMDKJJSQR-UHFFFAOYSA-N
XLogP1.39
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 118745374) is N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide is CN(C)C(=O)N1CCC2(CCCN(Cc3cnn(C)c3)C2)C1.
What is the InChIKey of N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is NXBRMDMDKJJSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-18(2)15(22)21-8-6-16(13-21)5-4-7-20(12-16)11-14-9-17-19(3)10-14/h9-10H,4-8,11-13H2,1-3H3.
What are the key properties of N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide?
N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 118745374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).