1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide

C14H21N3O2 — CID 97449229

IUPAC1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NC[C@@H]2CCC3(CCNCC3)O2)CC1
InChIInChI=1S/C14H21N3O2/c15-10-13(3-4-13)12(18)17-9-11-1-2-14(19-11)5-7-16-8-6-14/h11,16H,1-9H2,(H,17,18)/t11-/m0/s1
InChIKeyPYAHWQUEGBYWDR-NSHDSACASA-N
MW263.34 g/mol
LogP0.71
Rot. Bonds3

About 1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide

1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 97449229) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide
PubChem CID97449229
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NC[C@@H]2CCC3(CCNCC3)O2)CC1
InChIInChI=1S/C14H21N3O2/c15-10-13(3-4-13)12(18)17-9-11-1-2-14(19-11)5-7-16-8-6-14/h11,16H,1-9H2,(H,17,18)/t11-/m0/s1
InChIKeyPYAHWQUEGBYWDR-NSHDSACASA-N
XLogP0.71
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 80598955
1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 61459262
1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 80592650
1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
CID 80592027
1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol
CID 167731589
N-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134079745
4-cyano-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-4-carboxamide
CID 79362624
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-cyanooxane-4-carboxamide
CID 78953320
1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide
CID 115635699
3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide
CID 115184749
1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
CID 59860392
methyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate
CID 97295038

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide (CID 97449229) is 1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide is N#CC1(C(=O)NC[C@@H]2CCC3(CCNCC3)O2)CC1.
What is the InChIKey of 1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is PYAHWQUEGBYWDR-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O2/c15-10-13(3-4-13)12(18)17-9-11-1-2-14(19-11)5-7-16-8-6-14/h11,16H,1-9H2,(H,17,18)/t11-/m0/s1.
What are the key properties of 1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide?
1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97449229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).