N-[(2-fluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C20H30FN3O — CID 56904752

IUPACN-[(2-fluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)NCc1ccccc1F
InChIInChI=1S/C20H30FN3O/c1-3-10-24-15-20(8-11-23(2)12-9-20)13-18(24)19(25)22-14-16-6-4-5-7-17(16)21/h4-7,18H,3,8-15H2,1-2H3,(H,22,25)
InChIKeyFCOJIAJRTMEJAW-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.64
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

N-[(2-fluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56904752) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56904752
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC NameN-[(2-fluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)NCc1ccccc1F
InChIInChI=1S/C20H30FN3O/c1-3-10-24-15-20(8-11-23(2)12-9-20)13-18(24)19(25)22-14-16-6-4-5-7-17(16)21/h4-7,18H,3,8-15H2,1-2H3,(H,22,25)
InChIKeyFCOJIAJRTMEJAW-UHFFFAOYSA-N
XLogP2.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95895254
8-methyl-2-propyl-N-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56911452
(3R)-8-methyl-N-(2-phenylethyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95892201
(3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95874939
(3R)-N-[2-(4-chlorophenyl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95895187
(3S)-N-[2-(4-chlorophenyl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95895188
(3R)-8-methyl-2-propyl-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95871477
(3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95726385
(3S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95866978
N-[2-(furan-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56884229
8-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56903525
(3R)-8-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95874846

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56904752) is N-[(2-fluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)CC1C(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is FCOJIAJRTMEJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O/c1-3-10-24-15-20(8-11-23(2)12-9-20)13-18(24)19(25)22-14-16-6-4-5-7-17(16)21/h4-7,18H,3,8-15H2,1-2H3,(H,22,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[(2-fluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56904752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).