10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide

C16H26FN5O — CID 131650957

IUPAC10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCN(C)C(=O)N1CCC(F)C2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C16H26FN5O/c1-19(2)15(23)22-6-4-14(17)16(12-22)5-7-21(11-16)10-13-8-18-20(3)9-13/h8-9,14H,4-7,10-12H2,1-3H3
InChIKeyPIALDQWYQDQAQP-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.34
Rot. Bonds2

About 10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide

10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide (PubChem CID 131650957) has the molecular formula C16H26FN5O and a molecular weight of 323.42 g/mol. Its IUPAC name is 10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
PubChem CID131650957
Molecular FormulaC16H26FN5O
Molecular Weight323.42 g/mol
Exact Mass323.21
IUPAC Name10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCN(C)C(=O)N1CCC(F)C2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C16H26FN5O/c1-19(2)15(23)22-6-4-14(17)16(12-22)5-7-21(11-16)10-13-8-18-20(3)9-13/h8-9,14H,4-7,10-12H2,1-3H3
InChIKeyPIALDQWYQDQAQP-UHFFFAOYSA-N
XLogP1.34
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide with MolForge

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Related Compounds

(5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 97399927
(5S,9S)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897364
N-(cyclopropylmethyl)-5-[(1-methylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 134070356
(3S)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815537
(3R)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815538
N,N-dimethyl-2-[8-[(1-methylpyrazol-4-yl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97449772
N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118743153
1,1-dimethyl-3-[[(5R,7S)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea;2,2,2-trifluoroacetic acid
CID 155854209
9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155847570
4-(cyclopropylmethoxymethyl)-2-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155863614
[(2R)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383858
10-fluoro-2-(furan-2-ylmethyl)-N-propan-2-yl-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 131650011

Frequently Asked Questions

What is the IUPAC name of 10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The IUPAC name of 10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide (CID 131650957) is 10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for 10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for 10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide is CN(C)C(=O)N1CCC(F)C2(CCN(Cc3cnn(C)c3)C2)C1.
What is the InChIKey of 10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The InChIKey is PIALDQWYQDQAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN5O/c1-19(2)15(23)22-6-4-14(17)16(12-22)5-7-21(11-16)10-13-8-18-20(3)9-13/h8-9,14H,4-7,10-12H2,1-3H3.
What are the key properties of 10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 131650957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).