N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

C20H27FN2O2 — CID 134076793

IUPACN-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCC1CC1)C1CCC2(CCN(Cc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C20H27FN2O2/c21-17-5-3-16(4-6-17)14-23-11-9-20(10-12-23)8-7-18(25-20)19(24)22-13-15-1-2-15/h3-6,15,18H,1-2,7-14H2,(H,22,24)
InChIKeyLSKSMSVOCMBJLU-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.87
Rot. Bonds5

About N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 134076793) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
PubChem CID134076793
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC NameN-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCC1CC1)C1CCC2(CCN(Cc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C20H27FN2O2/c21-17-5-3-16(4-6-17)14-23-11-9-20(10-12-23)8-7-18(25-20)19(24)22-13-15-1-2-15/h3-6,15,18H,1-2,7-14H2,(H,22,24)
InChIKeyLSKSMSVOCMBJLU-UHFFFAOYSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(cyclopropylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383812
N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850234
[8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 131657477
(2R)-N-(cyclopropylmethyl)-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383839
N-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155851979
(2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383821
(2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383921
N-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 131690745
N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375802
N-benzyl-6-[(4-fluorophenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462563
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
4-(4-fluorophenyl)-N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 26278296

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 134076793) is N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is O=C(NCC1CC1)C1CCC2(CCN(Cc3ccc(F)cc3)CC2)O1.
What is the InChIKey of N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is LSKSMSVOCMBJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-17-5-3-16(4-6-17)14-23-11-9-20(10-12-23)8-7-18(25-20)19(24)22-13-15-1-2-15/h3-6,15,18H,1-2,7-14H2,(H,22,24).
What are the key properties of N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 134076793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).